G498-0407 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-(4-fluorophenyl)acetamide

G498-0407 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-(4-fluorophenyl)acetamide
G498-0407 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0407
N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-(4-fluorophenyl)acetamide

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

G498-0407

Molecular Formula

C17H16ClFN2O3S (C17 H16 ClFN2 O3 S)

Compound Name

N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-(4-fluorophenyl)acetamide

IUPAC name

N-[4-chloro-3-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-2-(4-fluorophenyl)acetamide

SMILES

O=C(Cc(cc1)ccc1F)Nc(cc1)cc(N(CCC2)S2(=O)=O)c1Cl

InChI

InChI=1S/C17H16ClFN2O3S/c18-15-7-6-14(11-16(15)21-8-1-9-25(21,23)24)20-17(22)10-12-2-4-13(19)5-3-12/h2-7,11H,1,8-10H2,(H,20,22)

InChI Key

IFJSWBGCWZPYKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-3.42

Polar Surface Area

54.851

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G498-0407 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G498-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0407?
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What is the minimum amount of G498-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0407
  • 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 G498-0407 available by request