WAY-324546 - ≥98% , CAS No.544416-00-4

CAS: 544416-00-4 Cat. No.: W417027 Fórmula: C₁₆H₁₄N₄OS Peso molecular: 310.37 PubChem CID: 3275769

GRADE & PURITY ≥98%

Synonyms

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Inhibitor of Nek2/Hec1 Analogues

Specifications

Sinónimos

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

2.658

Contagem HBD

1

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

504762519

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762519

Sorrisos canónicos

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=NC=CN=C3)C

IUPAC Name

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

InChIKey

GANRESSEAJEWSH-UHFFFAOYSA-N

INCHI

1S/C16H14N4OS/c1-10-3-4-12(11(2)7-10)14-9-22-16(19-14)20-15(21)13-8-17-5-6-18-13/h3-9H,1-2H3,(H,19,20,21)

SMILES isoméricas

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=NC=CN=C3)C

PubChem CID

3275769

Peso molecular

310.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazinecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazinecarboxamides
• Alternative Parents: m-Xylenes 2-heteroaryl carboxamides 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazinecarboxamide - 2-heteroaryl carboxamide - M-xylene - Xylene - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrazinecarboxamides. These are compounds containing a pyrazine ring which bears a carboxamide.
• 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

Alvos associados (humanos)

K562 (73714 Activities)

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MDA-MB-468 (9477 Activities)

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HeLa (62764 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 310.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 310.089 Da
• Monoisotopic Mass: 310.089 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 394.000
• 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