WAY-339503 - 10mM in DMSO , CAS No.863589-52-0

CAS: 863589-52-0 Cat. No.: W426417 Formula: C₂₀H₁₅N₃O₂S Peso molecolare: 361.417 PubChem CID: 3514815

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Antitumor histone acetyl transferase inhibitors; modulator of acetyltransferase/deacetylase activity; sirtuin modulators; sirtuin modulators; sirtuin modulators; sirtuin modulators; sirtuin modulators;

Specifications

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: 3.655
• Conteggio HBD: 1
• Legame rotabile: 4

Nomi e identificatori

• Pubchem Sid: 528768009
• Sorrisi canonici: COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(S3)N=CC=C4
• IUPAC Name: 3-methoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
• InChIKey: FHUQJHXYDFDWJO-UHFFFAOYSA-N
• INCHI: 1S/C20H15N3O2S/c1-25-16-8-3-5-13(12-16)18(24)22-15-7-2-6-14(11-15)19-23-17-9-4-10-21-20(17)26-19/h2-12H,1H3,(H,22,24)
• Isomeri SMILES: COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(S3)N=CC=C4
• PubChem CID: 3514815
• Peso molecolare: 361.417

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Pyridines and derivatives Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Thiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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: 361.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 361.088 Da
• Monoisotopic Mass: 361.088 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 492.000
• 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