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SMP-028

CAT: 0013-GTR19204775-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204775-01Size:25 mg
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Description
SMP-028 is a potent inhibitor of neutral cholesterol esterase (CEase), exhibiting an IC50 value of 1.01 μM. This small molecule is a valuable research tool for investigating lipid metabolism and atherosclerosis in both cellular and animal models.
CAS Number
914389-14-3
Field of Research
Metabolism Research
Smiles
C (CNC (NC) =O) N1C (=CSC1=NC2=CC (F) =CC=C2) C3=CC=C (C=C3) N4CCOCC4
Molecular Formula
C23H26FN5O2S
Molecular Weight
455.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-(2-((3-fluorophenyl)imino)-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3(2H)-yl)ethyl)-N'-methylurea

an antiasthmatic agent

CAS Number914389-14-3
PubChem CID11949660
IUPAC Name1-[2-[2-(3-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]ethyl]-3-methylurea
Molecular FormulaC23H26FN5O2S
Molecular Weight455.6
XLogP2.9
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity692
SMILES
CNC(=O)NCCN1C(=CSC1=NC2=CC(=CC=C2)F)C3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C23H26FN5O2S/c1-25-22(30)26-9-10-29-21(16-32-23(29)27-19-4-2-3-18(24)15-19)17-5-7-20(8-6-17)28-11-13-31-14-12-28/h2-8,15-16H,9-14H2,1H3,(H2,25,26,30)
InChIKey
NBGPMRBRSOZDOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-((3-fluorophenyl)imino)-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3(2H)-yl)ethyl)-N'-methylurea
CAS: 914389-14-3
CID: 11949660
Formula: C23H26FN5O2S
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass455.17912442
Monoisotopic Mass455.17912442
Topological Polar Surface Area94.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity692
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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