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AP-238

CAT: 0931-T203057-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T203057-02Size:50 mg
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CAS Number
140924-11-4
Target
Opioid Receptor
Related Pathways
Neuroscience, Endocrinology/Hormones, GPCR/G Protein
Bioactivity
AP-238 is a novel synthetic opioid (NSO) that acts as an agonist for the μ-opioid receptor (MOR), with an EC50 of 248 nM. Additionally, AP-238 exhibits analgesic properties.
Smiles
C(/C=C/C1=CC=CC=C1)N2C[C@H](C)N(C(CC)=O)[C@H](C)C2
Molecular Formula
C18H26N2O
Molecular Weight
286.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N26Wml8AR7
CAS Number140924-11-4
PubChem CID124389619
IUPAC Name1-[(2S,6R)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
Molecular FormulaC18H26N2O
Molecular Weight286.4
XLogP3
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity348
SMILES
CCC(=O)N1[C@@H](CN(C[C@@H]1C)C/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C18H26N2O/c1-4-18(21)20-15(2)13-19(14-16(20)3)12-8-11-17-9-6-5-7-10-17/h5-11,15-16H,4,12-14H2,1-3H3/b11-8+/t15-,16+
InChIKey
JELNWDOXWGBBLO-QJBCGIKSSA-N
Chemical Structure
2D Structure
2D structure of N26Wml8AR7
CAS: 140924-11-4
CID: 124389619
Formula: C18H26N2O
MW: 286.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass286.204513457
Monoisotopic Mass286.204513457
Topological Polar Surface Area23.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes