3788-2168 Screening compound: N-(3-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

3788-2168 Screening compound: N-(3-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide
3788-2168 Screening compound: N-(3-bromophenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-2168
N-(3-bromophenyl)-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

3788-2168

Molecular Formula

C23H21BrN2O3S (C23 H21 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H21BrN2O3S/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

MGNMAHHEAVTQLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02807721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.4

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

4.564

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.47

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

3788-2168 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3788-2168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-2168?
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What is the minimum amount of 3788-2168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-2168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-2168
  • 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 3788-2168 available by request