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CGK 733

CAT: 1410-M16512-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16512-01Size:5 mg
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Description
CGK 733 is a potent and selective inhibitor of ATM/ATR with IC50 of ~200 nM.
CAS Number
905973-89-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
555.84
Molecular Formula
C23H18Cl3FN4O3S
Notes
Research use only, not for human use.
Receptor
ATM| ATR

Chemical Information

Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea

2,2-diphenyl-N-[2,2,2-trichloro-1-[[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide is a diarylmethane.

CAS Number905973-89-9
PubChem CID6605258
IUPAC Name2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide
Molecular FormulaC23H18Cl3FN4O3S
Molecular Weight555.8
XLogP6.1
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity725
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]
InChI
InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)
InChIKey
HLCDNLNLQNYZTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea
CAS: 905973-89-9
CID: 6605258
Formula: C23H18Cl3FN4O3S
MW: 555.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight555.8
XLogP36.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass554.014923
Monoisotopic Mass554.014923
Topological Polar Surface Area131 Ų
Heavy Atom Count35
Formal Charge0
Complexity725
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

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