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MK-825

CAT: 0931-T69672-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69672-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23456-71-5
Target
Others
Related Pathways
Others
Bioactivity
MK-825 is a cholesteryl ester transfer protein (CETP) inhibitor.
Smiles
C(=O)(N1C=2C(C(CC(O)=O)=C1C)=CC(N(C)C)=CC2)C3=CC=C(Cl)C=C3
Molecular Formula
C20H19ClN2O3
Molecular Weight
370.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid

indomethacin analog; structure

CAS Number23456-71-5
PubChem CID31855
IUPAC Name2-[1-(4-chlorobenzoyl)-5-(dimethylamino)-2-methylindol-3-yl]acetic acid
Molecular FormulaC20H19ClN2O3
Molecular Weight370.8
XLogP4.4
Topological Polar Surface Area62.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity533
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)N(C)C)CC(=O)O
InChI
InChI=1S/C20H19ClN2O3/c1-12-16(11-19(24)25)17-10-15(22(2)3)8-9-18(17)23(12)20(26)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,24,25)
InChIKey
SUSOIBZGVNNEFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid
CAS: 23456-71-5
CID: 31855
Formula: C20H19ClN2O3
MW: 370.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.8
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass370.1084202
Monoisotopic Mass370.1084202
Topological Polar Surface Area62.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity533
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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