WAY-329606 - ≥98% , CAS No.956964-02-6

CAS: 956964-02-6 Cat. No.: W417305 Summenformel: C₂₀H₁₉N₃O₃ Molekulargewicht: 349.4 PubChem CID: 7997207

QUALITÄT & REINHEIT ≥98%

Synonyms

[(3,4-dimethylphenyl)carbamoyl]methyl 4-(1H-pyrazol-1-yl)benzoate | 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

altering the lifespan of a eukaryotic organism; kinase inhibitory activity;

Spezifikationen

Synonyme

[(3,4-dimethylphenyl)carbamoyl]methyl 4-(1H-pyrazol-1-yl)benzoate | 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

2.768

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

488196251

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196251

Kanonisches Lächeln

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

IUPAC Name

[2-(3,4-dimethylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate

InChIKey

OMKUCFAFJIMHPI-UHFFFAOYSA-N

INCHI

1S/C20H19N3O3/c1-14-4-7-17(12-15(14)2)22-19(24)13-26-20(25)16-5-8-18(9-6-16)23-11-3-10-21-23/h3-12H,13H2,1-2H3,(H,22,24)

Isomere SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

PubChem CID

7997207

Molekulargewicht

349.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzoic acid esters Anilides o-Xylenes N-arylamides Benzoyl derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Anilide - O-xylene - Xylene - Benzoyl - N-arylamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Zugehörige Ziele (menschlich)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10