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AZD1283

CAT: 0607-B4634-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B4634-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potent P2Y12 antagonist
CAS Number
919351-41-0
Field of Research
GPCR G protein P2Y Receptor
Purity
0.9895
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥18.15 mg/mL in DMSO
Molecular Formula
C23H26N4O5S
Molecular Weight
470.54
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Azd-1283
CAS Number919351-41-0
PubChem CID23649325
IUPAC Nameethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
Molecular FormulaC23H26N4O5S
Molecular Weight470.5
XLogP2.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity835
SMILES
CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)
InChIKey
NEMHKCNXXRQYRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd-1283
CAS: 919351-41-0
CID: 23649325
Formula: C23H26N4O5S
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass470.16239112
Monoisotopic Mass470.16239112
Topological Polar Surface Area138 Ų
Heavy Atom Count33
Formal Charge0
Complexity835
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

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