WAY-223539 - ≥98% , CAS No.13729-79-8

CAS: 13729-79-8 Cat. No.: W418293 Fórmula: C₁₄H₁₅NO₄ Peso molecular: 261.2732 PubChem CID: 3865867

GRADE & PURITY ≥98%

Synonyms

3-Methyl-1-[(4-methylphenyl)sulfonyl]-4-piperidinone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

BRD4 inhibitor

Specifications

Sinónimos

3-Methyl-1-[(4-methylphenyl)sulfonyl]-4-piperidinone

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Propriedades do produto

• ALogP: 1.77
• Contagem HBD: 1
• Ligação rotativa: 5

Nomes e identificadores

• Pubchem Sid: 488194623
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194623
• Sorrisos canónicos: CC1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)C
• IUPAC Name: 3-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
• InChIKey: CEGLVGHCQTVTGP-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO3S/c1-10-3-5-12(6-4-10)18(16,17)14-8-7-13(15)11(2)9-14/h3-6,11H,7-9H2,1-2H3
• SMILES isoméricas: CC1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)C
• PubChem CID: 3865867
• Peso molecular: 261.2732

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: Benzenesulfonamides Benzenesulfonyl compounds Piperidinones Organosulfonamides Sulfonyls Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Piperidinone - Piperidine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Cyclic ketone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10