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330796-24-2

330796-24-2 Structure

330796-24-2 Structure
IdentificationBack Directory
[Name]

N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea
[CAS]

330796-24-2
[Synonyms]

Hedgehog Antagonist VII
Hedgehog Antagonist VIII
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl]urea
1-(4-chloro-3-trifluoroMethyl-phenyl)-3-[3-(4-fluoro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylMethyl]-urea
N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea
N-[4-Chloro-3-(trifluoromethyl)phenyl]-N’-[[3-(4-fluorophenyl)-3,4-dihydro\n-4-oxo-2-quinazolinyl]methyl]urea
Urea, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]-
[Molecular Formula]

C23H15ClF4N4O2
[MDL Number]

MFCD10567691
[MOL File]

330796-24-2.mol
[Molecular Weight]

490.84
Chemical PropertiesBack Directory
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 30 mg/ml; DMF:PBS(pH7.2) (1:2): 0.3 mg/ml; DMSO: 25 mg/ml; Ethanol: 10 mg/ml
[form ]

A crystalline solid
[pka]

12.17±0.46(Predicted)
[color ]

clear slightly yellow
[InChI]

1S/C23H15ClF4N4O2/c24-18-10-7-14(11-17(18)23(26,27)28)30-22(34)29-12-20-31-19-4-2-1-3-16(19)21(33)32(20)15-8-5-13(25)6-9-15/h1-11H,12H2,(H2,29,30,34)
[InChIKey]

NYOXUHUPXGFHIB-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1c(ccc(c1)NC(=O)NCc2[n]([c](c4c(n2)cccc4)=O)c3ccc(cc3)F)Cl
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

A potent modulator of Hedgehog (Hh) protein function; a nanomolar Hh antagonist.
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