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

CAS: 544416-00-4 Cat. No.: W417027 Formula: C₁₆H₁₄N₄OS Peso molecolare: 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

Panoramica

Inhibitor of Nek2/Hec1 Analogues

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2.658
• Conteggio HBD: 1
• Legame rotabile: 3

Nomi e identificatori

• Pubchem Sid: 504762519
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762519
• Sorrisi canonici: 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)
• Isomeri SMILES: CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=NC=CN=C3)C
• PubChem CID: 3275769
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

K562 (73714 Activities)

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MDA-MB-468 (9477 Activities)

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HeLa (62764 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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