G498-0083 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-fluoro-2-methyl-1-benzenesulfonamide

G498-0083 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-fluoro-2-methyl-1-benzenesulfonamide
G498-0083 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-fluoro-2-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0083
N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-fluoro-2-methyl-1-benzenesulfonamide

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

G498-0083

Molecular Formula

C17H19FN2O4S2 (C17 H19 FN2 O4 S2)

Compound Name

N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-fluoro-2-methyl-1-benzenesulfonamide

IUPAC name

N-[5-(11-dioxo-1lambda62-thiazolidin-2-yl)-2-methylphenyl]-4-fluoro-2-methylbenzene-1-sulfonamide

SMILES

Cc(ccc(N(CCC1)S1(=O)=O)c1)c1NS(c(cc1)c(C)cc1F)(=O)=O

InChI

InChI=1S/C17H19FN2O4S2/c1-12-4-6-15(20-8-3-9-25(20,21)22)11-16(12)19-26(23,24)17-7-5-14(18)10-13(17)2/h4-7,10-11,19H,3,8-9H2,1-2H3

InChI Key

MWCNWTQDNVLIGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.92

Polar Surface Area

72.226

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-9.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G498-0083 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G498-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0083?
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What is the minimum amount of G498-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0083
  • 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 G498-0083 available by request