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LY-426965 hydrochloride

CAT: 0013-GTR19193596Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193596Size:25 mg
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Description
LY-426965 hydrochloride is a small molecule compound utilized in biochemical research. It serves as a potent and selective agonist for the lysophosphatidic acid (LPA1) receptor, facilitating investigations into LPA signaling pathways in both cellular and animal models.
CAS Number
326821-27-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@] (C (=O) C1CCCCC1) (CCN2CCN (CC2) C3=C (OC) C=CC=C3) (C) C4=CC=CC=C4.Cl
Molecular Formula
C28H39ClN2O2
Molecular Weight
471.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY-426965 hydrochloride
CAS Number326821-27-6
PubChem CID9934447
IUPAC Name(2S)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one;hydrochloride
Molecular FormulaC28H39ClN2O2
Molecular Weight471.1
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity576
SMILES
C[C@](CCN1CCN(CC1)C2=CC=CC=C2OC)(C3=CC=CC=C3)C(=O)C4CCCCC4.Cl
InChI
InChI=1S/C28H38N2O2.ClH/c1-28(24-13-7-4-8-14-24,27(31)23-11-5-3-6-12-23)17-18-29-19-21-30(22-20-29)25-15-9-10-16-26(25)32-2;/h4,7-10,13-16,23H,3,5-6,11-12,17-22H2,1-2H3;1H/t28-;/m0./s1
InChIKey
UUXFKMLSIOTOPP-JCOPYZAKSA-N
Chemical Structure
2D Structure
2D structure of LY-426965 hydrochloride
CAS: 326821-27-6
CID: 9934447
Formula: C28H39ClN2O2
MW: 471.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass470.2700062
Monoisotopic Mass470.2700062
Topological Polar Surface Area32.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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