Products for Research Use Only

SAR 216471 hydrochloride

CAT: 0013-GTR19277399-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19277399-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Potent P2Y12 antagonist (IC50 = 17 nM) . Displays antiplatelet and antithrombotic activity in vivo. Orally available.
CAS Number
1279829-64-9
Smiles
Cl.CCCC (=O) c1cnn (c1C) -c1ccc (NC (=O) c2cn (CC (=O) N3CCN (C) CC3) c3ccc (Cl) cc23) nn1
Molecular Formula
C28H32Cl2N8O3
Molecular Weight
599.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SAR 216471 hydrochloride
CAS Number1279829-64-9
PubChem CID70926954
IUPAC NameN-[6-(4-butanoyl-5-methylpyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide;hydrochloride
Molecular FormulaC28H32Cl2N8O3
Molecular Weight599.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity918
SMILES
CCCC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)NC(=O)C3=CN(C4=C3C=C(C=C4)Cl)CC(=O)N5CCN(CC5)C)C.Cl
InChI
InChI=1S/C28H31ClN8O3.ClH/c1-4-5-24(38)21-15-30-37(18(21)2)26-9-8-25(32-33-26)31-28(40)22-16-36(23-7-6-19(29)14-20(22)23)17-27(39)35-12-10-34(3)11-13-35;/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,31,32,40);1H
InChIKey
UQLWHBMSQKUYAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SAR 216471 hydrochloride
CAS: 1279829-64-9
CID: 70926954
Formula: C28H32Cl2N8O3
MW: 599.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight599.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass598.1974423
Monoisotopic Mass598.1974423
Topological Polar Surface Area118 Ų
Heavy Atom Count41
Formal Charge0
Complexity918
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes