WAY-640833 - ≥95% , CAS No.851187-80-9

CAS: 851187-80-9 Cat. No.: W417854 Summenformel: C₂₀H₂₀N₂O₃ Molekulargewicht: 336.38 PubChem CID: 2461646

GRADE & PURITY ≥95%

Synonyms

4-((3,5-Dimethylisoxazol-4-yl)methoxy)-N-(p-tolyl)benzamide | MLS001033437

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

regulating insulin secretion

Specifications

Synonyme

4-((3,5-Dimethylisoxazol-4-yl)methoxy)-N-(p-tolyl)benzamide | MLS001033437

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥95%

Produkteigenschaften

ALogP

3.55

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

504760752

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760752

Kanonisches Lächeln

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C

IUPAC Name

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide

InChIKey

POTSISFIPXACCS-UHFFFAOYSA-N

INCHI

1S/C20H20N2O3/c1-13-4-8-17(9-5-13)21-20(23)16-6-10-18(11-7-16)24-12-19-14(2)22-25-15(19)3/h4-11H,12H2,1-3H3,(H,21,23)

Isomere SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C

PubChem CID

2461646

Molekulargewicht

336.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Azole - Heteroaromatic compound - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

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Plasmodium falciparum (966862 Activities)

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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
• Molekulargewicht: 336.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 336.147 Da
• Monoisotopic Mass: 336.147 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 429.000
• 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