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

CAS: 428483-89-0 Cat. No.: W423934 Fórmula: C₁₉H₂₂N₂O₄S Peso molecular: 374.45 PubChem CID: 2278569

GRAU & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

inhibitors for UCH-L3

Especificações

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

2.542

Contagem HBD

1

Ligação rotativa

7

Nomes e identificadores

Pubchem Sid

528767809

Sorrisos canónicos

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)

SMILES isoméricas

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3=CC=C(C=C3)OC

PubChem CID

2278569

Peso molecular

374.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 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