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p38 MAPK-IN-1

CAS No.:
1006378-90-0
Catalog Number:
AG008TMU
Molecular Formula:
C21H15F2N2O
Molecular Weight:
349.3534
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
Product Description
Catalog Number:
AG008TMU
Chemical Name:
p38 MAPK-IN-1
CAS Number:
1006378-90-0
Molecular Formula:
C21H15F2N2O
Molecular Weight:
349.3534
MDL Number:
MFCD28900744
IUPAC Name:
4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium
InChI:
InChI=1S/C21H14F2N2O/c1-13-4-2-3-5-15(13)21-20-18(9-11-25(21)26)16(8-10-24-20)17-7-6-14(22)12-19(17)23/h2-12H,1H3
InChI Key:
BSZQSLWNMVTKJT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)c1ccnc2=C([NH+](=CC=c12)[O-])c1ccccc1C
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.107g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.353g/mol
Monoisotopic Mass:
348.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
1,7-Naphthyridine 1-oxides as novel potent and selective inhibitors of p38 mitogen activated protein kinase. Journal of medicinal chemistry 20111124
Properties