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MK-5757

CAT: 0013-GTR19212335-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212335-01Size:25 mg
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Description
MK-5757 is a potent and selective antagonist of the nociceptin/orphanin FQ (NOP) receptor (ORL1) . This small molecule tool compound is used in neuroscience research to investigate the NOP receptor's role in pain, addiction, and anxiety in both in vitro and in vivo experimental models.
CAS Number
919482-44-3
Smiles
C ([C@@H]1C2 ([C@]3 (C[C@@]1 (CC3) [H]) [H]) CC2) N4CCC (CC4) N5C=6C (N (C[C@H] (CO) O) C5=O) =CC=CC6
Molecular Formula
C25H35N3O3
Molecular Weight
425.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK-5757
CAS Number919482-44-3
PubChem CID44139754
IUPAC Name1-[(2R)-2,3-dihydroxypropyl]-3-[1-[[(1R,2S,4S)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methyl]piperidin-4-yl]benzimidazol-2-one
Molecular FormulaC25H35N3O3
Molecular Weight425.6
XLogP3.1
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity689
SMILES
C1C[C@H]2C[C@@H]1[C@@H](C23CC3)CN4CCC(CC4)N5C6=CC=CC=C6N(C5=O)C[C@H](CO)O
InChI
InChI=1S/C25H35N3O3/c29-16-20(30)14-27-22-3-1-2-4-23(22)28(24(27)31)19-7-11-26(12-8-19)15-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,20-,21+/m1/s1
InChIKey
DTAPURRKADLRKH-JYRKZWEQSA-N
Chemical Structure
2D Structure
2D structure of MK-5757
CAS: 919482-44-3
CID: 44139754
Formula: C25H35N3O3
MW: 425.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass425.26784199
Monoisotopic Mass425.26784199
Topological Polar Surface Area67.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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