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SMP-028

CAT: 0931-T12936-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T12936-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
914389-14-3
Target
Others, Lipase
Related Pathways
Others, Metabolism
Bioactivity
SMP-028 is a neutral cholesterol esterase (CEase) inhibitor (IC50 : 1.01 μM) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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A20811-25SMP-028 25mg
A20811-5SMP-028 5mg
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