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ML-262

CAT: 0931-T35801-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T35801-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
902502-82-3
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
ML-262 is an effective inhibitor of hepatic lipid droplet formation and is used in studies of non-alcoholic fatty liver disease.
Smiles
O=C(NCCC1=CC=C(OCC)C(OCC)=C1)C=2SC(=C(C2)C=3C=CC=CC3)N4CCOCC4
Molecular Formula
C27H32N2O4S
Molecular Weight
480.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CAS Number902502-82-3
PubChem CID20855303
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
Molecular FormulaC27H32N2O4S
Molecular Weight480.6
XLogP5.6
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity611
SMILES
CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4)OCC
InChI
InChI=1S/C27H32N2O4S/c1-3-32-23-11-10-20(18-24(23)33-4-2)12-13-28-26(30)25-19-22(21-8-6-5-7-9-21)27(34-25)29-14-16-31-17-15-29/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,30)
InChIKey
XJRACSVZNIKMPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CAS: 902502-82-3
CID: 20855303
Formula: C27H32N2O4S
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass480.20827868
Monoisotopic Mass480.20827868
Topological Polar Surface Area88.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity611
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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