WAY-625135 - ≥98% , CAS No.756865-45-9

CAS: 756865-45-9 Cat. No.: W418453 分子式: C₁₄H₁₂N₂O₃S 分子量: 288.32168 PubChem CID: 5139052

GRADE & PURITY ≥98%

Synonyms

SCHEMBL15426154 | WAY-625135 | 2-(6-methoxy-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide | SMR000352839 | AKOS017059018 | 2-(6-Methoxybenzofuran-3-yl)-N-(thiazol-2-yl)acetamide | MLS001010645 | HMS2730F19 | DTXSID501328593 | Z28172586

Storage

Room temperature

概要

Casein kinase 1δ inhibitors

Specifications

同義語

SCHEMBL15426154 | WAY-625135 | 2-(6-methoxy-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide | SMR000352839 | AKOS017059018 | 2-(6-Methoxybenzofuran-3-yl)-N-(thiazol-2-yl)acetamide | MLS001010645 | HMS2730F19 | DTXSID501328593 | Z28172586

仕様と純度

≥98%

保管条件

Room temperature

純度

≥98%

製品の性質

• ALogP: 1.933
• HBD数: 1
• 回転可能な結合: 4

名前と識別子

• パブケム・シド: 504763236
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763236
• カノニカル・スマイル: COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=NC=CS3
• IUPAC Name: 2-(6-methoxy-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
• InChIKey: CTUHMIMFEYRSSM-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O3S/c1-18-10-2-3-11-9(8-19-12(11)7-10)6-13(17)16-14-15-4-5-20-14/h2-5,7-8H,6H2,1H3,(H,15,16,17)
• 異性体SMILES: COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=NC=CS3
• PubChem CID: 5139052
• 分子量: 288.32168

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: N-arylamides Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Anisole - N-arylamide - Alkyl aryl ether - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

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作用メカニズム

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 10
• 分子量: 288.320 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 288.057 Da
• Monoisotopic Mass: 288.057 Da
• Topological Polar Surface Area: 92.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 355.000
• 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