Products for Research Use Only
RegisterLogin

ML261

CAT: 0931-T62029-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T62029-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
902523-58-4
Target
Others
Related Pathways
Others
Bioactivity
ML261 is a inhibitor of hepatic lipid droplets formation with an IC 50 of 69.7 nM. ML261 has research value in non-alcoholic fatty liver disease (NAFLD) and inflammation.
Smiles
CCOc1ccc(CCNC(=O)c2cc3sc(Cl)cc3n2C)cc1OCC
Molecular Formula
C20H23ClN2O3S
Molecular Weight
406.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CAS Number902523-58-4
PubChem CID9550710
IUPAC Name2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.9
XLogP5
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity498
SMILES
CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2C)C=C(S3)Cl)OCC
InChI
InChI=1S/C20H23ClN2O3S/c1-4-25-16-7-6-13(10-17(16)26-5-2)8-9-22-20(24)15-11-18-14(23(15)3)12-19(21)27-18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)
InChIKey
DGNXYXASQJMULD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CAS: 902523-58-4
CID: 9550710
Formula: C20H23ClN2O3S
MW: 406.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.9
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass406.1117915
Monoisotopic Mass406.1117915
Topological Polar Surface Area80.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity498
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

Related Products

CatalogName
T4390-01ML221
T8990-01ML266
T5413-01ML216
T3164-01ML241
T3423-01ML281
T6894-01ML264
T28065-01ML263
T64340-01ML267
T64320-01ML251
T4684-01ML241 hydrochloride

Alternative Products

CatalogName
HY-111179-01ML261

Popular Products