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MK-0493

CAT: 0013-GTR19203548-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203548-02Size:50 mg
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Description
MK-0493 is a potent and selective melanocortin-4 receptor (MC4R) agonist. It has been shown to reduce energy intake in research models, supporting its investigation in studies related to energy homeostasis, obesity, and metabolic disorders in both in vitro and in vivo experimental settings.
CAS Number
455956-93-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C[C@H] (NC (C) =O) c1cc (Cl) ccc1C1CCN (CC1) C (=O) [C@@H]1CN (C[C@H]1c1ccc (F) cc1F) C (C) (C) C
Molecular Formula
C30H38ClF2N3O2
Molecular Weight
546.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK-0493 free base
CAS Number455956-93-1
PubChem CID11642422
IUPAC NameN-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]ethyl]acetamide
Molecular FormulaC30H38ClF2N3O2
Molecular Weight546.1
XLogP4.8
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity831
SMILES
C[C@@H](C1=C(C=CC(=C1)Cl)C2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)NC(=O)C
InChI
InChI=1S/C30H38ClF2N3O2/c1-18(34-19(2)37)25-14-21(31)6-8-23(25)20-10-12-35(13-11-20)29(38)27-17-36(30(3,4)5)16-26(27)24-9-7-22(32)15-28(24)33/h6-9,14-15,18,20,26-27H,10-13,16-17H2,1-5H3,(H,34,37)/t18-,26-,27+/m0/s1
InChIKey
ZCWVNCMFYHPHCX-RHLLTPQKSA-N
Chemical Structure
2D Structure
2D structure of MK-0493 free base
CAS: 455956-93-1
CID: 11642422
Formula: C30H38ClF2N3O2
MW: 546.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.1
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass545.2620615
Monoisotopic Mass545.2620615
Topological Polar Surface Area52.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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