G206-2868 Screening compound: ethyl 4-({2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetyl}amino)benzoate

G206-2868 Screening compound: ethyl 4-({2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetyl}amino)benzoate
G206-2868 Screening compound: ethyl 4-({2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-2868
ethyl 4-({2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetyl}amino)benzoate

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

G206-2868

Molecular Formula

C21H19FN2O6S (C21 H19 FN2 O6 S)

Compound Name

ethyl 4-({2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetyl}amino)benzoate

IUPAC name

ethyl 4-{2-[5-(4-fluorophenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C(C(C)=C1c(cc2)ccc2F)=O)S1(=O)=O)=O)=O

InChI

InChI=1S/C21H19FN2O6S/c1-3-30-21(27)15-6-10-17(11-7-15)23-18(25)12-24-20(26)13(2)19(31(24,28)29)14-4-8-16(22)9-5-14/h4-11H,3,12H2,1-2H3,(H,23,25)

InChI Key

YOPSMJDWCISQKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.31

Polar Surface Area

89.087

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G206-2868 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 G206-2868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-2868?
Check Price and Availability of G206-2868, 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 G206-2868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-2868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-2868
  • 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 G206-2868 available by request