10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
SIRT2 enzyme inhibitors
| ALogP | 3.776 |
|---|---|
| Contagem HBD | 1 |
| Ligação rotativa | 5 |
| Pubchem Sid | 528768048 |
|---|---|
| Sorrisos canónicos | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl |
| IUPAC Name | 3-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide |
| InChIKey | KBOSWQKMRZDVNV-UHFFFAOYSA-N |
| INCHI | 1S/C20H23ClN2O3S/c21-18-9-5-7-16(13-18)15-22-20(24)17-8-6-10-19(14-17)27(25,26)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12,15H2,(H,22,24) |
| SMILES isoméricas | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl |
| PubChem CID | 2526079 |
| Peso molecular | 406.92622 |
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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | N-benzylbenzamides |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Azepanes Chlorobenzenes Organosulfonamides Aryl chlorides Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzylbenzamide - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - Azepane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 I2405009 | Certificate of Analysis | Jul 03, 2026 | W426277 |
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 406.900 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 406.112 Da |
| Monoisotopic Mass | 406.112 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 585.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
