WAY-324546 - 10mM in DMSO , CAS No.544416-00-4

CAS: 544416-00-4 Cat. No.: W424640 Fórmula: C₁₆H₁₄N₄OS Peso molecular: 310.37 PubChem CID: 3275769

CALIDAD & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Inhibitor of Nek2/Hec1 Analogues

Especificaciones

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

ALogP

2.658

Recuento HBD

1

Enlace rotable

3

Nombres e identificadores

Sonrisas canónicas

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)

Isómeros SMILES

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
    • Clase Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazinecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (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 acción

Propiedades químicas y físicas

• DMSO (mM) Solubilidad 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