WAY-299727 - ≥98% , CAS No.332169-78-5

CAS: 332169-78-5 Cat. No.: W418315 Peso molecular: 353.395 PubChem CID: 135414174

GRADE & PURITY ≥98%

Synonyms

N-[4-[2-[(3,4-dihydro-4-oxo-2-quinazolinyl)thio]acetyl]phenyl]-Acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

inhibitors of histone deacetylase

Specifications

Sinónimos

N-[4-[2-[(3, 4-dihydro-4-oxo-2-quinazolinyl)thio]acetyl]phenyl]-Acetamide

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: 3.124
• Recuento HBD: 2
• Enlace rotable: 5

Nombres e identificadores

• Pubchem Sid: 488202867
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202867
• Sonrisas canónicas: CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2
• IUPAC Name: N-[4-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetyl]phenyl]acetamide
• InChIKey: LSTRZBSDKHNHDV-UHFFFAOYSA-N
• INCHI: 1S/C18H15N3O3S/c1-11(22)19-13-8-6-12(7-9-13)16(23)10-25-18-20-15-5-3-2-4-14(15)17(24)21-18/h2-9H,10H2,1H3,(H,19,22)(H,20,21,24)
• PubChem CID: 135414174
• Peso molecular: 353.395

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetanilides Quinazolines N-acetylarylamines Benzoyl derivatives Aryl alkyl ketones Pyrimidones Alkylarylthioethers Acetamides Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Diazanaphthalene - Acetanilide - Quinazoline - N-acetylarylamine - Anilide - Aryl thioether - Benzoyl - N-arylamide - Aryl alkyl ketone - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Acetamide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organonitrogen compound - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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
• Peso molecular: 353.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 353.083 Da
• Monoisotopic Mass: 353.083 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 570.000
• 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