G206-4046 Screening compound: 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(4-propoxybenzyl)acetamide

G206-4046 Screening compound: 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(4-propoxybenzyl)acetamide
G206-4046 Screening compound: 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(4-propoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-4046
2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-(4-propoxybenzyl)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

G206-4046

Molecular Formula

C24H28N2O6S (C24 H28 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~-(4-propoxybenzyl)acetamide

IUPAC name

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

SMILES

CCCOc1ccc(CNC(CN(C(C(CC)=C2c(cc3)ccc3OC)=O)S2(=O)=O)=O)cc1

InChI

InChI=1S/C24H28N2O6S/c1-4-14-32-20-10-6-17(7-11-20)15-25-22(27)16-26-24(28)21(5-2)23(33(26,29)30)18-8-12-19(31-3)13-9-18/h6-13H,4-5,14-16H2,1-3H3,(H,25,27)

InChI Key

KCIMVSRRFWQKIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.60

Polar Surface Area

84.617

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G206-4046 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G206-4046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-4046?
Check Price and Availability of G206-4046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G206-4046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-4046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-4046
  • 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 G206-4046 available by request