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AS1907417

CAT: 0931-T26662-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26662-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
885038-66-4
Target
GPCR, Others
Related Pathways
Others, GPCR/G Protein, Endocrinology/Hormones
Bioactivity
AS1907417 is a GPR119 agonist.
Smiles
O=S1(=O)CC2=C(N=C(N=C2C1)C3CCC3)N4CCC(CCCC(O)=O)CC4
Molecular Formula
C19H27N3O4S
Molecular Weight
393.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AS-1907417

a GPR119 agonist and antidiabetic agent; structure in first source

CAS Number885038-66-4
PubChem CID11567371
IUPAC Name4-[1-(2-cyclobutyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperidin-4-yl]butanoic acid
Molecular FormulaC19H27N3O4S
Molecular Weight393.5
XLogP1.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity638
SMILES
C1CC(C1)C2=NC3=C(CS(=O)(=O)C3)C(=N2)N4CCC(CC4)CCCC(=O)O
InChI
InChI=1S/C19H27N3O4S/c23-17(24)6-1-3-13-7-9-22(10-8-13)19-15-11-27(25,26)12-16(15)20-18(21-19)14-4-2-5-14/h13-14H,1-12H2,(H,23,24)
InChIKey
NFFANIJTECFGGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AS-1907417
CAS: 885038-66-4
CID: 11567371
Formula: C19H27N3O4S
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass393.17222752
Monoisotopic Mass393.17222752
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-126807AS1907417

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