3272-1283 Screening compound: N-phenyl-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound 3272-1283
N-phenyl-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
3272-1283
Molecular Formula
C23H22N2O (C23 H22 N2 O)
Compound Name
N-phenyl-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
IUPAC name
N-phenyl-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide
SMILES
O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)Nc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
342.44
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.251
Distribution Coefficient, logD
3.970
Water Solubility, LogSw
-4.25
Polar Surface Area
26.724
Acid Dissociation Constant (pKa)
11.11
Base Dissociation Constant (pKb)
7.36
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.40
3272-1283 in Drug Discovery
Included in Screening Libraries
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Nervous system
- Cardiovascular
- GPCR
- Ion Channels
- Ion Channels
References: we are preparing a list of scientific research reports with 3272-1283 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)