4664-2786 Screening compound: N-(3-chlorophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

4664-2786 Screening compound: N-(3-chlorophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide
4664-2786 Screening compound: N-(3-chlorophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4664-2786
N-(3-chlorophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

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

4664-2786

Molecular Formula

C23H21ClN2O3S (C23 H21 ClN2 O3 S)

Compound Name

N-(3-chlorophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

IUPAC name

N-(3-chlorophenyl)-N-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

SMILES

O=C(CN(c1cccc(Cl)c1)S(c1ccccc1)(=O)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H21ClN2O3S/c24-20-9-6-10-21(15-20)26(30(28,29)22-11-2-1-3-12-22)17-23(27)25-14-13-18-7-4-5-8-19(18)16-25/h1-12,15H,13-14,16-17H2

InChI Key

IYUXCYWXOWGRDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.409

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.52

Polar Surface Area

47.847

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4664-2786 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4664-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4664-2786?
Check Price and Availability of 4664-2786, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4664-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4664-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4664-2786
  • 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 4664-2786 available by request