Products for Research Use Only
RegisterLogin

Lecimibide

CAT: 0931-T25651-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T25651-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
130804-35-2
Target
Acyltransferase
Related Pathways
Metabolism
Purity
0.9987
Bioactivity
Lecimibide (DuP 128) is a potent and selective inhibitor of acyl coenzyme A:cholesterol acyltransferase (ACAT), useful for studying high-lipid-related diseases.
Smiles
S(CCCCCN(C(NC1=C(F)C=C(F)C=C1)=O)CCCCCCC)C=2NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
Molecular Formula
C34H40F2N4OS
Molecular Weight
590.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lecimibide

Lecimibide is a small molecule drug. Lecimibide has a monoisotopic molecular weight of 590.29 Da.

CAS Number130804-35-2
PubChem CID71355
IUPAC Name3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptylurea
Molecular FormulaC34H40F2N4OS
Molecular Weight590.8
XLogP9.3
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity751
SMILES
CCCCCCCN(CCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
InChIKey
TVXOXGBTADZYCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lecimibide
CAS: 130804-35-2
CID: 71355
Formula: C34H40F2N4OS
MW: 590.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.8
XLogP39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass590.28908941
Monoisotopic Mass590.28908941
Topological Polar Surface Area86.3 Ų
Heavy Atom Count42
Formal Charge0
Complexity751
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

Alternative Products

CatalogName
MBS5775375Lecimibide

Popular Products