G206-3656 Screening compound: 4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-(4-methoxyphenyl)benzamide

G206-3656 Screening compound: 4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-(4-methoxyphenyl)benzamide
G206-3656 Screening compound: 4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-3656
4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-(4-methoxyphenyl)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

G206-3656

Molecular Formula

C25H21FN2O5S (C25 H21 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N1Cc(cc2)ccc2C(Nc(cc2)ccc2OC)=O)=O)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C25H21FN2O5S/c1-16-23(18-7-9-20(26)10-8-18)34(31,32)28(25(16)30)15-17-3-5-19(6-4-17)24(29)27-21-11-13-22(33-2)14-12-21/h3-14H,15H2,1-2H3,(H,27,29)

InChI Key

XTBXGEPZHVGVHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.08

Polar Surface Area

75.819

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G206-3656 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 G206-3656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-3656?
Check Price and Availability of G206-3656, 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 G206-3656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-3656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-3656
  • 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 G206-3656 available by request