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Home Sulfos Isopropyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate

Isopropyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate

CAS No.:
832714-46-2
Catalog Number:
AG00G3NH
Molecular Formula:
C21H24FN5O5S
Molecular Weight:
477.5092
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$265
- +
10mg
99%
1 week
United States
$404
- +
50mg
99%
1 week
United States
$1098
- +
100mg
99%
1 week
United States
$1376
- +
Product Description
Catalog Number:
AG00G3NH
Chemical Name:
Isopropyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate
CAS Number:
832714-46-2
Molecular Formula:
C21H24FN5O5S
Molecular Weight:
477.5092
MDL Number:
MFCD12032117
IUPAC Name:
propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
InChI:
InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
InChI Key:
XTRUQJBVQBUKSQ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)C
Properties
Complexity:
788  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.148g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.511g/mol
Monoisotopic Mass:
477.148g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
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
Discovery of fused bicyclic agonists of the orphan G-protein coupled receptor GPR119 with in vivo activity in rodent models of glucose control. Bioorganic & medicinal chemistry letters 20110515
Properties