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BP 897

CAT: 0931-T9100-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9100-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192384-87-5
Target
Dopamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9987
Bioactivity
BP 897 (2-Naphthalenecarboxamide, N-[4-[4- (2-methoxyphenyl) -1-piperazinyl]butyl]-) is a potent and selective dopamine D3 receptor agonist, and a weak dopamine D2 receptor antagonist, with Kis of 0.92 nM and 61 nM for D3 and D2 receptors, and shows low affinities at D1 and D4 receptors (Kis, 3 and 0.3 μM, respectively) .
Smiles
O(C)C1=C(C=CC=C1)N2CCN(CCCCNC(=O)C3=CC4=C(C=C3)C=CC=C4)CC2
Molecular Formula
C26H31N3O2
Molecular Weight
417.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-

N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide is a naphthalenecarboxamide.

CAS Number192384-87-5
PubChem CID3038495
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
Molecular FormulaC26H31N3O2
Molecular Weight417.5
XLogP4.8
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity549
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
InChIKey
MNHDKMDLOJSCGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CAS: 192384-87-5
CID: 3038495
Formula: C26H31N3O2
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass417.24162724
Monoisotopic Mass417.24162724
Topological Polar Surface Area44.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity549
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