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CEP-32496

CAS No.:
1188910-76-0
Catalog Number:
AG0039SO
Molecular Formula:
C24H22F3N5O5
Molecular Weight:
517.4572
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$140
- +
5mg
≥95%
1 week
United States
$397
- +
10mg
≥95%
1 week
United States
$491
- +
Product Description
Catalog Number:
AG0039SO
Chemical Name:
CEP-32496
CAS Number:
1188910-76-0
Molecular Formula:
C24H22F3N5O5
Molecular Weight:
517.4572
MDL Number:
MFCD22124524
IUPAC Name:
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
InChI:
InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
InChI Key:
DKNUPRMJNUQNHR-UHFFFAOYSA-N
SMILES:
COc1cc2c(ncnc2cc1OC)Oc1cccc(c1)NC(=O)Nc1noc(c1)C(C(F)(F)F)(C)C
UNII:
78I4VEX88N
Properties
Complexity:
776  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.157g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
517.465g/mol
Monoisotopic Mass:
517.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Identification of 1-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea hydrochloride (CEP-32496), a highly potent and orally efficacious inhibitor of V-RAF murine sarcoma viral oncogene homologue B1 (BRAF) V600E. Journal of medicinal chemistry 20120209
Properties