G498-0012 Screening compound: N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-fluoro-4-methoxy-1-benzenesulfonamide

G498-0012 Screening compound: N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-fluoro-4-methoxy-1-benzenesulfonamide
G498-0012 Screening compound: N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-fluoro-4-methoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0012
N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-fluoro-4-methoxy-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

G498-0012

Molecular Formula

C16H17FN2O5S2 (C16 H17 FN2 O5 S2)

Compound Name

N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-fluoro-4-methoxy-1-benzenesulfonamide

IUPAC name

N-[3-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-3-fluoro-4-methoxybenzene-1-sulfonamide

SMILES

COc(ccc(S(Nc1cccc(N(CCC2)S2(=O)=O)c1)(=O)=O)c1)c1F

InChI

InChI=1S/C16H17FN2O5S2/c1-24-16-7-6-14(11-15(16)17)26(22,23)18-12-4-2-5-13(10-12)19-8-3-9-25(19,20)21/h2,4-7,10-11,18H,3,8-9H2,1H3

InChI Key

RVDYOQZMTVQEPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.89

Polar Surface Area

80.554

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G498-0012 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G498-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0012?
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What is the minimum amount of G498-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0012
  • 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 G498-0012 available by request