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Inh1

CAS No.:
313553-47-8
Catalog Number:
AG00C6FY
Molecular Formula:
C18H16N2OS
Molecular Weight:
308.3974
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$140
- +
50mg
98+%
1 week
United States
$325
- +
100mg
99%
1 week
United States
$543
- +
500mg
99%
1 week
United States
$2001
- +
Product Description
Catalog Number:
AG00C6FY
Chemical Name:
Inh1
CAS Number:
313553-47-8
Molecular Formula:
C18H16N2OS
Molecular Weight:
308.3974
MDL Number:
MFCD01356769
IUPAC Name:
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
InChI:
InChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChI Key:
JPMOKRWIYQGMJL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1csc(n1)NC(=O)c1ccccc1
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.098g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.399g/mol
Monoisotopic Mass:
308.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Small molecule targeting the Hec1/Nek2 mitotic pathway suppresses tumor cell growth in culture and in animal. Cancer research 20081015
Crystallization, data collection and phasing of infestin 4, a factor XIIa inhibitor. Acta crystallographica. Section D, Biological crystallography 20041101
Properties