WAY-311994 - 10mM in DMSO , CAS No.35868-41-8

CAS: 35868-41-8 Cat. No.: W423613 Summenformel: C₁₉H₁₄N₂O₃ Molekulargewicht: 318.33 PubChem CID: 743606

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

35868-41-8|2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one|4(3H)-Quinazolinone, 2-(2-furanyl)-3-(4-methoxyphenyl)-|2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one|ChemDiv3_001467|Oprea1_378633|Oprea1_788015|MLS000855929|CHEMBL1613342|DTXSID80353

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

antibacterial, antifungal, and piscicidal activities

Spezifikationen

Synonyme

35868-41-8 | 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one | 4(3H)-Quinazolinone, 2-(2-furanyl)-3-(4-methoxyphenyl)- | 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one | ChemDiv3_001467 | Oprea1_378633 | Oprea1_788015 | MLS000855929 | CHEMBL1613342 | DTXSID80353

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

3.654

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

528767855

Kanonisches Lächeln

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4

IUPAC Name

2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one

InChIKey

IDFKAZZRWRKHIJ-UHFFFAOYSA-N

INCHI

1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)21-18(17-7-4-12-24-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3

Isomere SMILES

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4

PubChem CID

743606

Molekulargewicht

318.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Heteroaromatic compounds Furans Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Lactam - Ether - Oxacycle - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Plasmodium falciparum (966862 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 318.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 318.1 Da
• Monoisotopic Mass: 318.1 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 499.000
• 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