Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
KT203 is a potent and selective inhibitor of α/β-hydrolase domain containing 6 (ABHD6) , with an IC 50 of 0.31 nM in Neuro2A cells
Form:Solid
IC50& Target:IC50: 0.31 nM (ABHD6 in Neuro2A cells)
| Canonical Smiles | C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O |
|---|---|
| IUPAC Name | 3-[4-[1-(2-benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid |
| InChIKey | SSSCOJOXPDDHOO-UHFFFAOYSA-N |
| INCHI | 1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34) |
| Isomeric SMILES | C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O |
| PubChem CID | 53364510 |
| Molecular Weight | 466.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-benzylpiperidines |
| Alternative Parents | Biphenyls and derivatives Phenyl-1,2,3-triazoles Piperidinecarboxamides Benzoic acids Benzoyl derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-benzylpiperidine - Biphenyl - Phenyltriazole - Phenyl-1,2,3-triazole - Benzoic acid or derivatives - Benzoic acid - 1-piperidinecarboxamide - Piperidinecarboxamide - Benzoyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 2-position of a piperidine. |
| External Descriptors | Not available |
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| Solubility | DMSO : 100 mg/mL (214.35 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 466.500 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 466.2 Da |
| Monoisotopic Mass | 466.2 Da |
| Topological Polar Surface Area | 88.300 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 719.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |