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Home Other Building Blocks JNJ-38431055

JNJ-38431055

CAS No.:
897732-93-3
Catalog Number:
AG00GU0W
Molecular Formula:
C21H29N5O6S
Molecular Weight:
479.5499
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$161
- +
10mg
≥98%
1 week
United States
$244
- +
50mg
99%
1 week
United States
$460
- +
100mg
99%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG00GU0W
Chemical Name:
JNJ-38431055
CAS Number:
897732-93-3
Molecular Formula:
C21H29N5O6S
Molecular Weight:
479.5499
MDL Number:
MFCD25976734
IUPAC Name:
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
InChI:
InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)
InChI Key:
WPDCHTSXOPUOII-UHFFFAOYSA-N
SMILES:
COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C
UNII:
345354O7AT
Properties
Complexity:
740  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.184g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
479.552g/mol
Monoisotopic Mass:
479.184g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile. Bioorganic & medicinal chemistry letters 20120215
Properties