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BPU-11

CAT: 1410-M24949-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M24949-03Size:50 mg
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Description
BPU-11 is an HCN4 CLP ligand that acts by modulating channel function and completely abolishing the cAMP-induced shift in V1/2.
CAS Number
909664-41-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
501.63
Molecular Formula
C32H31N5O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

1-{1-[(3-Cyanophenyl)methyl]piperidin-4-yl}-3-(2-phenylphenyl)-1-(pyridin-3-ylmethyl)urea
CAS Number909664-41-1
PubChem CID24730758
IUPAC Name1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-phenylphenyl)-1-(pyridin-3-ylmethyl)urea
Molecular FormulaC32H31N5O
Molecular Weight501.6
XLogP5
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity780
SMILES
C1CN(CCC1N(CC2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)CC5=CC(=CC=C5)C#N
InChI
InChI=1S/C32H31N5O/c33-21-25-8-6-9-26(20-25)23-36-18-15-29(16-19-36)37(24-27-10-7-17-34-22-27)32(38)35-31-14-5-4-13-30(31)28-11-2-1-3-12-28/h1-14,17,20,22,29H,15-16,18-19,23-24H2,(H,35,38)
InChIKey
UIIRFZUAAAFHFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-{1-[(3-Cyanophenyl)methyl]piperidin-4-yl}-3-(2-phenylphenyl)-1-(pyridin-3-ylmethyl)urea
CAS: 909664-41-1
CID: 24730758
Formula: C32H31N5O
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass501.25286063
Monoisotopic Mass501.25286063
Topological Polar Surface Area72.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity780
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

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