G501-0453 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}benzene-1-sulfonamide

G501-0453 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}benzene-1-sulfonamide
G501-0453 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G501-0453
2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}benzene-1-sulfonamide

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

G501-0453

Molecular Formula

C25H28ClN3O2S (C25 H28 ClN3 O2 S)

Compound Name

2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}benzene-1-sulfonamide

IUPAC name

2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1234-tetrahydroisoquinolin-2-yl)ethyl}benzene-1-sulfonamide

SMILES

CN(C)c1ccc(C(CNS(c(cccc2)c2Cl)(=O)=O)N(CC2)Cc3c2cccc3)cc1

InChI

InChI=1S/C25H28ClN3O2S/c1-28(2)22-13-11-20(12-14-22)24(29-16-15-19-7-3-4-8-21(19)18-29)17-27-32(30,31)25-10-6-5-9-23(25)26/h3-14,24,27H,15-18H2,1-2H3/t24-/m0/s1

InChI Key

CIVFEBXHYFSFIJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD08006046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-5.15

Polar Surface Area

47.453

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

G501-0453 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G501-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G501-0453?
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What is the minimum amount of G501-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G501-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G501-0453
  • 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 G501-0453 available by request