G206-0539 Screening compound: N~1~-(4-ethoxy-3-methoxybenzyl)-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide

G206-0539 Screening compound: N~1~-(4-ethoxy-3-methoxybenzyl)-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide
G206-0539 Screening compound: N~1~-(4-ethoxy-3-methoxybenzyl)-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-0539
N~1~-(4-ethoxy-3-methoxybenzyl)-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide

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

G206-0539

Molecular Formula

C23H26N2O7S (C23 H26 N2 O7 S)

Compound Name

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

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[5-(4-methoxyphenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]acetamide

SMILES

CCOc(ccc(CNC(CN(C(C(C)=C1c(cc2)ccc2OC)=O)S1(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C23H26N2O7S/c1-5-32-19-11-6-16(12-20(19)31-4)13-24-21(26)14-25-23(27)15(2)22(33(25,28)29)17-7-9-18(30-3)10-8-17/h6-12H,5,13-14H2,1-4H3,(H,24,26)

InChI Key

UKGXTZZEXVTSIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.99

Polar Surface Area

92.040

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G206-0539 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 G206-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-0539?
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What is the minimum amount of G206-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-0539
  • 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 G206-0539 available by request