WAY-297285 - 10mM in DMSO , CAS No.314043-73-7

CAS: 314043-73-7 Cat. No.: W423252 Molecular Weight: 373.47 PubChem CID: 1328078

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

modulating sirtuin activity

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 2.979
• HBD Count: 1
• Rotatable Bond: 4

Names and Identifiers

• Pubchem Sid: 528767773
• Canonical Smiles: CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3
• IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-methylpyridin-2-yl)benzamide
• InChIKey: MHSNDHUSNGVBLG-UHFFFAOYSA-N
• INCHI: 1S/C19H23N3O3S/c1-15-9-10-20-18(13-15)21-19(23)16-7-6-8-17(14-16)26(24,25)22-11-4-2-3-5-12-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,20,21,23)
• Isomeric SMILES: CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3
• PubChem CID: 1328078
• Molecular Weight: 373.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzamides Benzenesulfonyl compounds Benzoyl derivatives Azepanes Methylpyridines Imidolactams Organosulfonamides Heteroaromatic compounds Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Azepane - Methylpyridine - Pyridine - Imidolactam - Organosulfonic acid amide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 373.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 373.146 Da
• Monoisotopic Mass: 373.146 Da
• Topological Polar Surface Area: 87.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 567.000
• 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