WAY-347626 - ≥97% , CAS No.756843-31-9

CAS: 756843-31-9 Cat. No.: W418138 Fórmula: C₁₇H₁₅N₃O₃ Peso molecular: 309.3193 PubChem CID: 5238140

GRADE & PURITY ≥97%

Synonyms

4-[2-(5,7-Dimethyl-2-oxoindol-3-yl)hydrazinyl]benzoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

potential CDK2 inhibitor isosteres

Specifications

Sinónimos

4-[2-(5,7-Dimethyl-2-oxoindol-3-yl)hydrazinyl]benzoic acid

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

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

≥97%

Propriedades do produto

ALogP

3.814

Contagem HBD

2

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

528768021

Sorrisos canónicos

CC1=CC(=C2C(=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)C(=O)O)C

IUPAC Name

4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid

InChIKey

YNZLLZWHERPJFA-UHFFFAOYSA-N

INCHI

1S/C17H15N3O3/c1-9-7-10(2)14-13(8-9)15(16(21)18-14)20-19-12-5-3-11(4-6-12)17(22)23/h3-8,18,21H,1-2H3,(H,22,23)

SMILES isoméricas

CC1=CC(=C2C(=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)C(=O)O)C

PubChem CID

5238140

Peso molecular

309.3193

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles Benzoic acids Benzoyl derivatives Substituted pyrroles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Benzoic acid or derivatives - Benzoic acid - Indole - Benzoyl - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azo compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl 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

Alvos associados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Streptococcus (3973 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Streptococcus sp. 'group A' (3417 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ska Streptokinase A (5805 Activities)

Discover Target: ska

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10