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SCH 221510

CAT: 0607-B7326-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7326-50Size:50 mg
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Description
nociceptin opioid receptor (NOP) agonist
CAS Number
322473-89-2
Product Name Alternative
(1R,3s,5S)-8-(di-o-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
Field of Research
GPCR G protein NOP Receptor
Purity
0.98
Form
White solid
Solubility
<39.76mg/ml in DMSO
Smiles
O[C@@]1(C2=CC=CC=C2)C[C@H](CC3)N(C(C4=CC=CC=C4C)C5=CC=CC=C5C)[C@H]3C1
Molecular Formula
C28H31NO
Molecular Weight
397.55
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

8-(Bis(2-methylphenyl)methyl)-3-phenyl-8-azabicyclo(3.2.1)octan-3-ol

a nociceptin opioid receptor agonist; structure in first source

CAS Number322473-89-2
PubChem CID9887077
IUPAC Name8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
Molecular FormulaC28H31NO
Molecular Weight397.6
XLogP6
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity533
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C4CCC3CC(C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
InChIKey
LOSJNRBXNQTUNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(Bis(2-methylphenyl)methyl)-3-phenyl-8-azabicyclo(3.2.1)octan-3-ol
CAS: 322473-89-2
CID: 9887077
Formula: C28H31NO
MW: 397.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight397.6
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass397.240564612
Monoisotopic Mass397.240564612
Topological Polar Surface Area23.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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