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BP14979

CAT: 0931-T26890-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T26890-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1000036-77-0
Target
Dopamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9973
Bioactivity
BP14979 is a dopamine D3 receptor agonist that can be used to study neurological disorders.
Smiles
C(#N)C=1C=C(N2CCN(CC[C@@H]3CC[C@@H](NC(CCOC)=O)CC3)CC2)C=CC1
Molecular Formula
C23H34N4O2
Molecular Weight
398.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propanamide, N-(trans-4-(2-(4-(3-cyanophenyl)-1-piperazinyl)ethyl)cyclohexyl)-3-methoxy-

BP-14979 is under investigation in clinical trial NCT01785147 (Efficacy and Safety of BP1.4979 in Smoking Cessation).

CAS Number1000036-77-0
PubChem CID57964460
IUPAC NameN-[4-[2-[4-(3-cyanophenyl)piperazin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
Molecular FormulaC23H34N4O2
Molecular Weight398.5
XLogP2.6
Topological Polar Surface Area68.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity544
SMILES
COCCC(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C23H34N4O2/c1-29-16-10-23(28)25-21-7-5-19(6-8-21)9-11-26-12-14-27(15-13-26)22-4-2-3-20(17-22)18-24/h2-4,17,19,21H,5-16H2,1H3,(H,25,28)
InChIKey
PLMAPPWZOQMTBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanamide, N-(trans-4-(2-(4-(3-cyanophenyl)-1-piperazinyl)ethyl)cyclohexyl)-3-methoxy-
CAS: 1000036-77-0
CID: 57964460
Formula: C23H34N4O2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass398.26817634
Monoisotopic Mass398.26817634
Topological Polar Surface Area68.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP17563-01BP14979

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