G206-3711 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

G206-3711 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide
G206-3711 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-3711
N~1~-(1,3-benzodioxol-5-yl)-4-{[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}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

G206-3711

Molecular Formula

C25H19FN2O6S (C25 H19 FN2 O6 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-{[5-(4-fluorophenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]methyl}benzamide

SMILES

CC(C(N1Cc(cc2)ccc2C(Nc(cc2)cc3c2OCO3)=O)=O)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C25H19FN2O6S/c1-15-23(17-6-8-19(26)9-7-17)35(31,32)28(25(15)30)13-16-2-4-18(5-3-16)24(29)27-20-10-11-21-22(12-20)34-14-33-21/h2-12H,13-14H2,1H3,(H,27,29)

InChI Key

MFPOPZJRKYTFPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-4.02

Polar Surface Area

85.390

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G206-3711 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G206-3711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-3711?
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What is the minimum amount of G206-3711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-3711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-3711
  • 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 G206-3711 available by request