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Trap 101

CAT: 0607-B7084-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7084-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
nociceptin/orphanin FQ (NOP) receptor antagonist
CAS Number
1216621-00-9
Product Name Alternative
1-(1-(cyclooctylmethyl)-5-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-4-yl)-3-ethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride
Field of Research
GPCR G protein NOP Receptor
Purity
0.98
Form
White solid
Solubility
<21.7mg/ml in DMSO
Smiles
OCC(CN(CC1)CC2CCCCCCC2)=C1N3C4=CC=CC=C4N(CC)C3=O.Cl
Molecular Formula
C24H35N3O2·HCl
Molecular Weight
434.02
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenimidazol-2-one
CAS Number1216621-00-9
PubChem CID56972178
IUPAC Name1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one;hydrochloride
Molecular FormulaC24H36ClN3O2
Molecular Weight434.0
Topological Polar Surface Area47
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity597
SMILES
CCN1C2=CC=CC=C2N(C1=O)C3=C(CN(CC3)CC4CCCCCCC4)CO.Cl
InChI
InChI=1S/C24H35N3O2.ClH/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19;/h8-9,12-13,19,28H,2-7,10-11,14-18H2,1H3;1H
InChIKey
YEVMLMQAMCKVSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenimidazol-2-one
CAS: 1216621-00-9
CID: 56972178
Formula: C24H36ClN3O2
MW: 434.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass433.2496051
Monoisotopic Mass433.2496051
Topological Polar Surface Area47 Ų
Heavy Atom Count30
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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