MK-3328 - ≥99% , CAS No.1201323-97-8

CAS: 1201323-97-8 Cat. No.: M1031427 EG-Nummer: 685-107-6 PubChem CID: 44555286

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CN1C=CC2=CC(=CN=C21)C3=NC4=C(O3)N=C(C=C4)F
• IUPAC Name: 5-fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
• InChIKey: WYQHKOHCTMNFAU-UHFFFAOYSA-N
• INCHI: 1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3
• Isomere SMILES: CN1C=CC2=CC(=CN=C21)C3=NC4=C(O3)N=C(C=C4)F
• Alternative CAS-Nummer: 1201323-97-8
• PubChem CID: 44555286
• MeSH-Eintrag: MK-3328

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolopyridines
• Alternative Parents: Pyrrolopyridines 2-halopyridines N-methylpyrroles Aryl fluorides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - 1,3-oxazolopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - N-methylpyrrole - Substituted pyrrole - Pyridine - Azole - Heteroaromatic compound - Oxazole - Pyrrole - Oxacycle - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxazolopyridines. These are polycyclic compounds containing an oxazole ring fused to a pyridine 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

• Molekulargewicht: 268.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 268.076 Da
• Monoisotopic Mass: 268.076 Da
• Topological Polar Surface Area: 56.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 371.000
• 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