G206-3982 Screening compound: 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(2-methoxyphenyl)acetamide

G206-3982 Screening compound: 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(2-methoxyphenyl)acetamide
G206-3982 Screening compound: 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-3982
2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(2-methoxyphenyl)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

G206-3982

Molecular Formula

C21H22N2O6S (C21 H22 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N1CC(Nc(cccc2)c2OC)=O)=O)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C21H22N2O6S/c1-4-16-20(14-9-11-15(28-2)12-10-14)30(26,27)23(21(16)25)13-19(24)22-17-7-5-6-8-18(17)29-3/h5-12H,4,13H2,1-3H3,(H,22,24)

InChI Key

HPTGOOSSWVMODQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-3.39

Polar Surface Area

82.809

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G206-3982 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 G206-3982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-3982?
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What is the minimum amount of G206-3982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-3982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-3982
  • 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 G206-3982 available by request