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MK 0533

CAT: 0013-GTR19277507-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277507-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mk-0533 is a selective peroxisome proliferator-activated receptor gamma modulator for the treatment of type 2 diabetes mellitus.
CAS Number
668457-98-5
Smiles
C (=O) (C=1C=2C (N (CC3=CC (O[C@@H] (C (O) =O) CC) =CC=C3) C1C) =CC (OC (F) (F) F) =CC2) C4=CC=C (OC) C=C4
Molecular Formula
C29H26F3NO6
Molecular Weight
541.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)butanoic acid
CAS Number668457-98-5
PubChem CID68434511
IUPAC Name(2R)-2-[3-[[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]butanoic acid
Molecular FormulaC29H26F3NO6
Molecular Weight541.5
XLogP7
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity832
SMILES
CC[C@H](C(=O)O)OC1=CC=CC(=C1)CN2C(=C(C3=C2C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C29H26F3NO6/c1-4-25(28(35)36)38-21-7-5-6-18(14-21)16-33-17(2)26(27(34)19-8-10-20(37-3)11-9-19)23-13-12-22(15-24(23)33)39-29(30,31)32/h5-15,25H,4,16H2,1-3H3,(H,35,36)/t25-/m1/s1
InChIKey
CCNHNUIPUCBUCG-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)butanoic acid
CAS: 668457-98-5
CID: 68434511
Formula: C29H26F3NO6
MW: 541.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.5
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass541.17122204
Monoisotopic Mass541.17122204
Topological Polar Surface Area87 Ų
Heavy Atom Count39
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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