G206-4126 Screening compound: 2-{4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]benzyl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

G206-4126 Screening compound: 2-{4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]benzyl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
G206-4126 Screening compound: 2-{4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]benzyl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-4126
2-{4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]benzyl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

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

G206-4126

Molecular Formula

C28H26N2O5S (C28 H26 N2 O5 S)

Compound Name

2-{4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]benzyl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

5-(4-methoxyphenyl)-4-methyl-2-{[4-(1234-tetrahydroisoquinoline-2-carbonyl)phenyl]methyl}-23-dihydro-1lambda62-thiazole-113-trione

SMILES

CC(C(N1Cc(cc2)ccc2C(N(CC2)Cc3c2cccc3)=O)=O)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C28H26N2O5S/c1-19-26(22-11-13-25(35-2)14-12-22)36(33,34)30(27(19)31)17-20-7-9-23(10-8-20)28(32)29-16-15-21-5-3-4-6-24(21)18-29/h3-14H,15-18H2,1-2H3

InChI Key

QRQFNQAPAOSVDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-3.93

Polar Surface Area

69.038

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G206-4126 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Immune system
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G206-4126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-4126?
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What is the minimum amount of G206-4126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-4126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-4126
  • 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 G206-4126 available by request