WYE-175829 - 10mM in DMSO , CAS No.327093-01-6

CAS: 327093-01-6 Cat. No.: W423337 Summenformel: C₁₃H₁₄N₂O₃S Molekulargewicht: 278.32686 EG-Nummer: 101-590-3 PubChem CID: 3805067

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

inhibitor of tyrosine kinases; gonadotropin-releasing hormone antagonist;

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Produkteigenschaften

• ALogP: 1.554
• HBD-Zahl: 2
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 528768468
• Kanonisches Lächeln: COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N
• IUPAC Name: 3-amino-N-(2-methoxyphenyl)benzenesulfonamide
• InChIKey: IRJQKCUTGSZFON-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O3S/c1-18-13-8-3-2-7-12(13)15-19(16,17)11-6-4-5-10(14)9-11/h2-9,15H,14H2,1H3
• Isomere SMILES: COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N
• PubChem CID: 3805067
• Molekulargewicht: 278.32686

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Sulfanilides Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 278.330 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.073 Da
• Monoisotopic Mass: 278.073 Da
• Topological Polar Surface Area: 89.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 380.000
• 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