Products for Research Use Only

SM-32504

CAT: 0013-GTR19196465-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196465-01Size:25 mg
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Description
SM-32504 is a potent and selective ACAT (Acyl-CoA:cholesterol acyltransferase) inhibitor. This small molecule is utilized in biochemical research to investigate cholesterol metabolism and esterification, with applications in both in vitro enzymatic assays and in vivo models of atherosclerosis.
CAS Number
185539-34-8
Field of Research
Metabolism Research
Smiles
N (C (NC1=C (C (C) C) C=CC=C1C (C) C) =O) C2=C (C=3C (N (CCCC) C2=O) =NC=CC3) C4=CC (OC) =CC=C4
Molecular Formula
C32H38N4O3
Molecular Weight
526.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CAS Number185539-34-8
PubChem CID9893095
IUPAC Name1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
Molecular FormulaC32H38N4O3
Molecular Weight526.7
XLogP6.2
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity855
SMILES
CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=CC=C3C(C)C)C(C)C)C4=CC(=CC=C4)OC
InChI
InChI=1S/C32H38N4O3/c1-7-8-18-36-30-26(16-11-17-33-30)27(22-12-9-13-23(19-22)39-6)29(31(36)37)35-32(38)34-28-24(20(2)3)14-10-15-25(28)21(4)5/h9-17,19-21H,7-8,18H2,1-6H3,(H2,34,35,38)
InChIKey
ORFMGXFFDRWECM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CAS: 185539-34-8
CID: 9893095
Formula: C32H38N4O3
MW: 526.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.7
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass526.29439109
Monoisotopic Mass526.29439109
Topological Polar Surface Area83.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity855
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