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C/EBPα inducer 1

CAT: 0013-GTR19167052-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167052-06Size:100 mg
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Description
C/EBPα inducer 1
CAS Number
2374285-52-4
Product Name Alternative
4 (3H) -Quinazolinone, 6-fluoro-2-[ (1E) -2- (5-nitro-2-furanyl) ethenyl]-3-phenyl-, C/EBPa inducer 1, C/EBPalpha inducer 1, C/EBPα inducer 1, Inhibitor, inhibit
Field of Research
Cell Biology, Molecular Biology, Signal Transduction
Purity
98.40% (May vary between batches)
Solubility
DMSO:12.5 mg/mL (33.13 mM)
Smiles
[O-][N+] (=O) c1ccc (\C=C\c2nc3ccc (F) cc3c (=O) n2-c2ccccc2) o1
Molecular Formula
C20H12FN3O4
Molecular Weight
377.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-6-Fluoro-2-(2-(5-nitrofuran-2-yl)vinyl)-3-phenylquinazolin-4(3H)-one
CAS Number2374285-52-4
PubChem CID155487033
IUPAC Name6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-phenylquinazolin-4-one
Molecular FormulaC20H12FN3O4
Molecular Weight377.3
XLogP3.9
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity671
SMILES
C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)F)/C=C/C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C20H12FN3O4/c21-13-6-9-17-16(12-13)20(25)23(14-4-2-1-3-5-14)18(22-17)10-7-15-8-11-19(28-15)24(26)27/h1-12H/b10-7+
InChIKey
HBQOIUMWWOMCBS-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of (E)-6-Fluoro-2-(2-(5-nitrofuran-2-yl)vinyl)-3-phenylquinazolin-4(3H)-one
CAS: 2374285-52-4
CID: 155487033
Formula: C20H12FN3O4
MW: 377.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.3
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass377.08118403
Monoisotopic Mass377.08118403
Topological Polar Surface Area91.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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