G206-4117 Screening compound: N~1~-(4-methoxybenzyl)-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

G206-4117 Screening compound: N~1~-(4-methoxybenzyl)-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide
G206-4117 Screening compound: N~1~-(4-methoxybenzyl)-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-4117
N~1~-(4-methoxybenzyl)-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-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

G206-4117

Molecular Formula

C27H26N2O6S (C27 H26 N2 O6 S)

Compound Name

N~1~-(4-methoxybenzyl)-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

IUPAC name

4-{[5-(4-methoxyphenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]methyl}-N-[(4-methoxyphenyl)methyl]benzamide

SMILES

CC(C(N1Cc(cc2)ccc2C(NCc(cc2)ccc2OC)=O)=O)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C27H26N2O6S/c1-18-25(21-10-14-24(35-3)15-11-21)36(32,33)29(27(18)31)17-20-4-8-22(9-5-20)26(30)28-16-19-6-12-23(34-2)13-7-19/h4-15H,16-17H2,1-3H3,(H,28,30)

InChI Key

HKYVLRDOFOIYPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.68

Polar Surface Area

84.685

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

G206-4117 in Drug Discovery

Included in Screening Libraries

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 G206-4117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-4117?
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What is the minimum amount of G206-4117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-4117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-4117
  • 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 G206-4117 available by request