6113-1410 Screening compound: N-(4-chlorophenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

6113-1410 Screening compound: N-(4-chlorophenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
6113-1410 Screening compound: N-(4-chlorophenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6113-1410
N-(4-chlorophenyl)-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

6113-1410

Molecular Formula

C23H21ClN2O (C23 H21 ClN2 O)

Compound Name

N-(4-chlorophenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

IUPAC name

N-(4-chlorophenyl)-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C23H21ClN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)

InChI Key

MRLAGAZWHNUUGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01167893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.89

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

5.037

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-5.29

Polar Surface Area

26.724

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

6113-1410 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6113-1410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6113-1410?
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What is the minimum amount of 6113-1410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6113-1410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6113-1410
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6113-1410 available by request