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DPH 10mM * 1mL in DMSO

CAT: 0628-A11379-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No
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CAT#:0628-A11379-10mM-DSize:10 mM x 1mL in DMSO
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CAS Number
484049-04-9

Chemical Information

5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione

a c-Abl activator; structure in first source

CAS Number484049-04-9
PubChem CID660311
IUPAC Name5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]imidazolidine-2,4-dione
Molecular FormulaC18H13FN4O2
Molecular Weight336.3
XLogP2.4
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity517
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C4C(=O)NC(=O)N4
InChI
InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)
InChIKey
MPQWYPLPWGUMJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CAS: 484049-04-9
CID: 660311
Formula: C18H13FN4O2
MW: 336.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight336.3
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass336.10225383
Monoisotopic Mass336.10225383
Topological Polar Surface Area76 Ų
Heavy Atom Count25
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes