WAY-320144 - 10mM in DMSO , CAS No.313275-18-2

CAS: 313275-18-2 Cat. No.: W423231 分子式: C₂₃H₂₁N₃O₄ 分子量: 403.43054 PubChem CID: 3931510

グレード＆純度 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Antitumor histone acetyl transferase inhibitors; sirtuin modulators; sirtuin modulators; sirtuin modulators; sirtuin modulators; sirtuin modulators;

仕様

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

ALogP

4.006

HBD数

2

回転可能な結合

6

名前と識別子

パブケム・シド

528767877

カノニカル・スマイル

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4N3

IUPAC Name

N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide

InChIKey

RNRJVBBDMLIESA-UHFFFAOYSA-N

INCHI

1S/C23H21N3O4/c1-28-19-12-14(13-20(29-2)21(19)30-3)23(27)26-16-9-5-4-8-15(16)22-24-17-10-6-7-11-18(17)25-22/h4-13H,1-3H3,(H,24,25)(H,26,27)

異性体SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4N3

PubChem CID

3931510

分子量

403.43054

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Benzanilides Phenylimidazoles Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - Benzanilide - Aromatic anilide - 2-phenylimidazole - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to 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

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 10
• 分子量: 403.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 403.153 Da
• Monoisotopic Mass: 403.153 Da
• Topological Polar Surface Area: 85.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 563.000
• 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