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

Descripción general

BRD4 inhibitor

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• ALogP: 1.77
• Recuento HBD: 1
• Enlace rotable: 5

Nombres e identificadores

• Pubchem Sid: 488194623
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194623
• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides
            • Level7 N,N-disubstituted p-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10