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KD-026

CAT: 0127-BUP07344-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07344-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
913541-47-6
Synonyms
SLx 4090, SLx4090, KD026, SLx-4090
Purity
=98%
Smiles
COc1cccc(C(=O)Nc2ccc3CN(CCc3c2)C(=O)Oc2ccccc2)c1-c1ccc(cc1)C(F)(F)F

Chemical Information

Slx-4090

SLx-4090 is a microsomal triglyceride transfer protein (MTTP) inhibitor potentially for the treatment of type 2 diabetes.

CAS Number913541-47-6
PubChem CID53497429
IUPAC Namephenyl 6-[[3-methoxy-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular FormulaC31H25F3N2O4
Molecular Weight546.5
XLogP6.5
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity856
SMILES
COC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(CC4)C(=O)OC5=CC=CC=C5)C=C3
InChI
InChI=1S/C31H25F3N2O4/c1-39-27-9-5-8-26(28(27)20-10-13-23(14-11-20)31(32,33)34)29(37)35-24-15-12-22-19-36(17-16-21(22)18-24)30(38)40-25-6-3-2-4-7-25/h2-15,18H,16-17,19H2,1H3,(H,35,37)
InChIKey
AZUIUVJESCFSLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Slx-4090
CAS: 913541-47-6
CID: 53497429
Formula: C31H25F3N2O4
MW: 546.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.5
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass546.17664177
Monoisotopic Mass546.17664177
Topological Polar Surface Area67.9 Ų
Heavy Atom Count40
Formal Charge0
Complexity856
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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