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MK-7128

CAT: 0013-GTR19211585-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211585-01Size:25 mg
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Description
MK-7128 is a selective inverse agonist of the cannabinoid receptor 1 (CB1) . It is a valuable research tool for investigating CB1 receptor function in metabolic and obesity-related studies, with utility in both in vitro binding assays and in vivo pharmacological models.
CAS Number
937731-95-8
Smiles
[C@@H] (N1CC ([C@H] (C (C) (C) F) C2=CC (C#N) =CC (F) =C2) C1) (C3=CC (=CC=C3) C=4OC (=O) NN4) C5=CC=C (Cl) C=C5
Molecular Formula
C29H25ClF2N4O2
Molecular Weight
534.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK-7128
CAS Number937731-95-8
PubChem CID16745094
IUPAC Name3-[(1S)-1-[1-[(S)-(4-chlorophenyl)-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]methyl]azetidin-3-yl]-2-fluoro-2-methylpropyl]-5-fluorobenzonitrile
Molecular FormulaC29H25ClF2N4O2
Molecular Weight535.0
XLogP6.1
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity940
SMILES
CC(C)([C@@H](C1CN(C1)[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C4=NNC(=O)O4)C5=CC(=CC(=C5)C#N)F)F
InChI
InChI=1S/C29H25ClF2N4O2/c1-29(2,32)25(21-10-17(14-33)11-24(31)13-21)22-15-36(16-22)26(18-6-8-23(30)9-7-18)19-4-3-5-20(12-19)27-34-35-28(37)38-27/h3-13,22,25-26H,15-16H2,1-2H3,(H,35,37)/t25-,26+/m1/s1
InChIKey
WFYMIOTUYKCVRZ-FTJBHMTQSA-N
Chemical Structure
2D Structure
2D structure of MK-7128
CAS: 937731-95-8
CID: 16745094
Formula: C29H25ClF2N4O2
MW: 535.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.0
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass534.1634101
Monoisotopic Mass534.1634101
Topological Polar Surface Area77.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity940
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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