Home Halogens 2,2-Diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

2,2-Diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

CAS No.:
905973-89-9
Catalog Number:
AG00GU2I
Molecular Formula:
C23H18Cl3FN4O3S
Molecular Weight:
555.8364
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
10mg
99%
1 week
United States
$154
- +
50mg
99%
1 week
United States
$473
- +
100mg
99%
1 week
United States
$751
- +
500mg
99%
1 week
United States
$2835
- +
Product Description
Catalog Number:
AG00GU2I
Chemical Name:
2,2-Diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
CAS Number:
905973-89-9
Molecular Formula:
C23H18Cl3FN4O3S
Molecular Weight:
555.8364
MDL Number:
MFCD09038682
IUPAC Name:
2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide
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)
InChI Key:
HLCDNLNLQNYZTK-UHFFFAOYSA-N
SMILES:
S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
725  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.015g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
555.83g/mol
Monoisotopic Mass:
554.015g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  
Literature
Title Journal
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery. The Biochemical journal 20130415
CGK733 enhances multinucleated cell formation and cytotoxicity induced by taxol in Chk1-deficient HBV-positive hepatocellular carcinoma cells. Biochemical and biophysical research communications 20120525
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nature biotechnology 20111101
CGK733 does not inhibit ATM or ATR kinase activity in H460 human lung cancer cells. DNA repair 20111010
ATM is the predominant kinase involved in the phosphorylation of histone H2AX after heating. Journal of radiation research 20100101
Scientific misconduct. Science retracts discredited paper; bitter patent dispute continues. Science (New York, N.Y.) 20090424
The ATM and ATR inhibitors CGK733 and caffeine suppress cyclin D1 levels and inhibit cell proliferation. Radiation oncology (London, England) 20090101
Ataxia telangiectasia mutated and p21CIP1 modulate cell survival of drug-induced senescent tumor cells: implications for chemotherapy. Clinical cancer research : an official journal of the American Association for Cancer Research 20080315
Small molecule-based reversible reprogramming of cellular lifespan. Nature chemical biology 20060701
Properties