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MKP10241

CAT: 0957-E6710-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E6710-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GPR119
CAS Number
2137977-29-6
Molecular Formula
C24H27FN6O3S2 2427632

Chemical Information

Deziglipel
CAS Number2137977-29-6
PubChem CID131984581
IUPAC Name2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Molecular FormulaC24H27FN6O3S2
Molecular Weight530.6
XLogP4.6
Topological Polar Surface Area139
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity834
SMILES
CCC1=CN=C(N=C1)N2CCC(CC2)[C@H](C)OC3=NN4C=C(N=C4S3)C5=C(C=C(C=C5)S(=O)(=O)C)F
InChI
InChI=1S/C24H27FN6O3S2/c1-4-16-12-26-22(27-13-16)30-9-7-17(8-10-30)15(2)34-24-29-31-14-21(28-23(31)35-24)19-6-5-18(11-20(19)25)36(3,32)33/h5-6,11-15,17H,4,7-10H2,1-3H3/t15-/m0/s1
InChIKey
UUMBXZTUKTTYMG-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Deziglipel
CAS: 2137977-29-6
CID: 131984581
Formula: C24H27FN6O3S2
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass530.15700925
Monoisotopic Mass530.15700925
Topological Polar Surface Area139 Ų
Heavy Atom Count36
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
C21571-5mgMKP10241

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