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Nih-12848

CAS No.:
959551-10-1
Catalog Number:
AG01DU9R
Molecular Formula:
C20H14F3N3S
Molecular Weight:
385.4055
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$207
- +
10mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$807
- +
100mg
98%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG01DU9R
Chemical Name:
Nih-12848
CAS Number:
959551-10-1
Molecular Formula:
C20H14F3N3S
Molecular Weight:
385.4055
MDL Number:
MFCD30738011
IUPAC Name:
N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
InChI:
InChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26)
InChI Key:
QBDAEJRHUCSSPR-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1c1nc(NCc2cccs2)c2c(n1)cccc2)(F)F
Properties
Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.086g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
385.408g/mol
Monoisotopic Mass:
385.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Synthesis and structure-activity relationship studies of N-benzyl-2-phenylpyrimidin-4-amine derivatives as potent USP1/UAF1 deubiquitinase inhibitors with anticancer activity against nonsmall cell lung cancer. Journal of medicinal chemistry 20141009
Identification of cariogenic bacteria by fluorescent antibody and other techniques: an international symposium. New York City, April 3-4, 1975. A summary and view of the future. Journal of dental research 19760101
Properties