WAY-299727 - 10mM in DMSO , CAS No.332169-78-5

CAS: 332169-78-5 Cat. No.: W423410 Formula: C₁₈H₁₅N₃O₃S Peso molecolare: 353.395 PubChem CID: 135414174

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

inhibitors of histone deacetylase

Specifiche

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

3.124

Conteggio HBD

2

Legame rotabile

5

Nomi e identificatori

Pubchem Sid

528767791

Sorrisi canonici

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 molecolare

353.395

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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