WAY-639872 - ≥98% , CAS No.796119-18-1

CAS: 796119-18-1 Cat. No.: W417827 Summenformel: C₂₁H₂₁N₃O₃ Molekulargewicht: 363.41 PubChem CID: 4879545

GRADE & PURITY ≥98%

Synonyms

N-(2-Morpholinophenyl)-2-(quinolin-8-yloxy)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

NaV1.7 inhibitor

Specifications

Synonyme

N-(2-Morpholinophenyl)-2-(quinolin-8-yloxy)acetamide

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: 2.486
• HBD-Zahl: 1
• Rotationsfähige Bindung: 5

Namen und Kennungen

• Pubchem Sid: 504763162
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763162
• Kanonisches Lächeln: C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=CC4=C3N=CC=C4
• IUPAC Name: N-(2-morpholin-4-ylphenyl)-2-quinolin-8-yloxyacetamide
• InChIKey: ZJRDHGFMVANNGO-UHFFFAOYSA-N
• INCHI: 1S/C21H21N3O3/c25-20(15-27-19-9-3-5-16-6-4-10-22-21(16)19)23-17-7-1-2-8-18(17)24-11-13-26-14-12-24/h1-10H,11-15H2,(H,23,25)
• Isomere SMILES: C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=CC4=C3N=CC=C4
• PubChem CID: 4879545
• Molekulargewicht: 363.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Quinolines and derivatives 2'-Aminoanilides Phenol ethers N-arylamides Dialkylarylamines Aniline and substituted anilines Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylmorpholine - 2'-aminoanilide - Quinoline - Anilide - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 363.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 363.158 Da
• Monoisotopic Mass: 363.158 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 483.000
• 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