Identification Chemical Properties Hazard Information Supplier

57801-95-3

Name 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 2-bromo-4-(2-fluorophenyl)-9-methyl-
CAS 57801-95-3
EINECS(EC#) 200-284-8
Molecular Formula C15H10BrFN4S
Molecular Weight 377.23
MOL File 57801-95-3.mol
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Chemical Properties

solubility  DMF:5.0(Max Conc. mg/mL);13.0(Max Conc. mM)
DMSO:5.0(Max Conc. mg/mL);13.0(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.3(Max Conc. mM)
form  A crystalline solid
InChI InChI=1S/C15H10BrFN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey VOZDBDBHBXLWCG-UHFFFAOYSA-N
SMILES N12C(C)=NN=C1CN=C(C1=CC=CC=C1F)C1C=C(Br)SC=12

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