WAY-300434 - 10mM in DMSO , CAS No.428483-89-0

CAS: 428483-89-0 Cat. No.: W423934 Molecular Weight: 374.45 PubChem CID: 2278569

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

inhibitors for UCH-L3

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: 2.542
• HBD Count: 1
• Rotatable Bond: 7

Names and Identifiers

• Pubchem Sid: 528767809
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3=CC=C(C=C3)OC
• IUPAC Name: N-cyclopropyl-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
• InChIKey: ZSAMWODPJUVPOC-UHFFFAOYSA-N
• INCHI: 1S/C19H22N2O4S/c1-14-3-11-18(12-4-14)26(23,24)21(13-19(22)20-15-5-6-15)16-7-9-17(25-2)10-8-16/h3-4,7-12,15H,5-6,13H2,1-2H3,(H,20,22)
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3=CC=C(C=C3)OC
• PubChem CID: 2278569
• Molecular Weight: 374.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides
            • Level7 N,N-disubstituted p-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Tosyl compounds - P-toluenesulfonamides
• Direct Parent: N,N-disubstituted p-toluenesulfonamides
• Alternative Parents: Sulfanilides Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Methoxyanilines Methoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N,n-disubstituted p-toluenesulfonamide - Sulfanilide - Alpha-amino acid or derivatives - Benzenesulfonamide - Methoxyaniline - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
• 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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 374.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 374.13 Da
• Monoisotopic Mass: 374.13 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 569.000
• 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