| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The biological target of this compound is not defined. Based on the presence of a piperazine and benzothiazole, it may have activity at serotonin or dopamine receptors (GPCRs) or as a kinase inhibitor. However, no experimental data exist. The compound is often sold as a “building block” or “screening compound,” and its “target” is unknown. It is not a drug and has not undergone target identification.
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|---|---|
| ln Vitro |
No in vitro activity data are available. The compound has not been tested in any published cell-free or cell-based assays. As a synthetic chemical, it may have been used as a starting material for the synthesis of more complex molecules that have biological activity. There are no IC50, EC50, or binding affinity values reported.
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| ln Vivo |
No in vivo activity data exist. The compound has not been tested in animal models. It is not intended for in vivo use. Its solubility, stability, and pharmacokinetics are unknown. It is purely a laboratory chemical.
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| Enzyme Assay |
No protocols exist for enzyme or receptor binding because no biological target has been identified. For characterization, standard analytical chemistry methods are used: 1H NMR (CDCl3 or DMSO-d6) to confirm structure, 13C NMR, high-resolution mass spectrometry (HRMS-ESI) to confirm molecular weight ([M+H]+ expected), and HPLC to determine purity (typically >95%). The compound can be used as a reference standard in analytical chemistry.
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| Cell Assay |
Not applicable for pharmacology. If the compound is used in a cell-based screen (e.g., for cytotoxicity or GPCR activity), a typical protocol would involve plating HEK293 or HeLa cells in 96-well plates at 5×10^3 cells/well, treating with serial dilutions of the compound (0.1-100 uM) for 48 h, and then measuring cell viability by MTT or CellTiter-Glo. However, no such data have been published. Researchers intending to use the compound should perform their own assays.
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| Animal Protocol |
No animal studies have been conducted with this compound. It is not used for in vivo experiments. If it were to be used (e.g., for a toxicology study), standard protocols would involve administering the compound orally or intraperitoneally to rodents at doses of 10-200 mg/kg in a suitable vehicle (e.g., 0.5% methylcellulose or PEG400) and monitoring for 14 days. However, no such data exist.
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| ADME/Pharmacokinetics |
No pharmacokinetic properties have been determined. Based on its structure (molecular weight ~420, logP estimated ~3.5, TPSA ~55 Angstrom2), it may have moderate passive permeability and moderate metabolic stability. However, these are predictions only. The compound should be handled as having unknown ADME properties.
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| Toxicity/Toxicokinetics |
No toxicology data exist. As a research chemical, appropriate safety precautions should be taken: use in a fume hood, wear gloves and goggles. The compound may be an irritant to skin, eyes, and respiratory tract. It should be stored at -20degC, protected from light, under inert gas (argon) to prevent degradation. Dispose of as hazardous waste. No LD50 or NOAEL values are available.
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| Additional Infomation |
This compound is a research-grade chemical, not a drug. It is listed in chemical catalogs as a building block for combinatorial chemistry or as a screening compound. The full IUPAC name is long, and the compound is often referred to by its catalog number. It has no therapeutic indication, no clinical trials, and no regulatory approvals. Researchers may use it in medicinal chemistry optimization campaigns to explore the structure-activity relationship of piperazine-benzothiazole scaffolds. The anisole and p-methylpiperidine groups may be modifiable for improved solubility or target affinity. However, without published activity, its value is speculative.
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| Molecular Formula |
C25H30N4O2S
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|---|---|
| Molecular Weight |
450.596304416656
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| Exact Mass |
450.208
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| CAS # |
906258-69-3
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| PubChem CID |
16011689
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| Appearance |
White to off-white solid powder
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| LogP |
5.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
627
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC
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| InChi Key |
CHQCVRDHOXMOLR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H30N4O2S/c1-18-9-11-29(12-10-18)25-26-22-8-3-19(17-23(22)32-25)24(30)28-15-13-27(14-16-28)20-4-6-21(31-2)7-5-20/h3-8,17-18H,9-16H2,1-2H3
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| Chemical Name |
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~16.67 mg/mL (~37.00 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (3.71 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 16.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 1.67 mg/mL (3.71 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 16.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2193 mL | 11.0963 mL | 22.1926 mL | |
| 5 mM | 0.4439 mL | 2.2193 mL | 4.4385 mL | |
| 10 mM | 0.2219 mL | 1.1096 mL | 2.2193 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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