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4-IBP

CAT: 0013-GTR19170510-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19170510-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-IBP is a potent and selective sigma-1 receptor agonist, exhibiting high affinity (Ki = 1.7 nM) for σ1R and moderate affinity for σ2R. It is a valuable research tool for investigating sigma receptor function in neuropharmacology, with applications in both in vitro binding assays and in vivo behavioral studies.
CAS Number
155798-08-6
Product Name Alternative
Inhibitor, inhibit, 4IBP, 4-IBP, 4 IBP, Sigmareceptor, Sigma receptor, Sigma Receptor, σ1, σ2
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
98.99% (May vary between batches)
Solubility
DMSO:7.86 mg/mL (18.7 mM) ; Ethanol:5 mM
Smiles
Ic1ccc (cc1) C (=O) NC1CCN (Cc2ccccc2) CC1
Molecular Formula
C19H21IN2O
Molecular Weight
420.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(N-benzylpiperidin-4-yl)-4-iodobenzamide

4-iodo-N-[1-(phenylmethyl)-4-piperidinyl]benzamide is a member of piperidines.

CAS Number155798-08-6
PubChem CID132995
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-iodobenzamide
Molecular FormulaC19H21IN2O
Molecular Weight420.3
XLogP3.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity368
SMILES
C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3
InChI
InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
InChIKey
HELCSESNNDZLFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CAS: 155798-08-6
CID: 132995
Formula: C19H21IN2O
MW: 420.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass420.06986
Monoisotopic Mass420.06986
Topological Polar Surface Area32.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity368
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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