Name: Name:1-[5-(Cyclopropylsulfamoyl)-2-(thiophen-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Brand: AABLOCKS
SKU: AA009C61
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA009C61

Chemical Name: 1-[5-(Cyclopropylsulfamoyl)-2-(thiophen-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

CAS Number: 1432660-47-3

Molecular Formula: C21H18F3N3O3S2

Molecular Weight: 481.5111

MDL Number: MFCD26097285

SMILES: O=C(Nc1cc(ccc1c1ccsc1)S(=O)(=O)NC1CC1)Nc1cccc(c1)C(F)(F)F

Properties

Complexity: 771

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 32

Hydrogen Bond Acceptor Count: 8

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4.2

Downstream Synthesis Route

Literature fold

Title: Selective inhibition of mutant isocitrate dehydrogenase 1 (IDH1) via disruption of a metal binding network by an allosteric small molecule.

Journal: The Journal of biological chemistry20150109

Title: Wang F, et al. Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science. 2013 May 3;340(6132):622-6.

1432660-47-3 | 1-[5-(Cyclopropylsulfamoyl)-2-(thiophen-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea