G001-0716 Screening compound: 3-(4-ethoxyanilino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

G001-0716 Screening compound: 3-(4-ethoxyanilino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
G001-0716 Screening compound: 3-(4-ethoxyanilino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0716
3-(4-ethoxyanilino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

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

G001-0716

Molecular Formula

C18H17FN2O3S (C18 H17 FN2 O3 S)

Compound Name

3-(4-ethoxyanilino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[(4-ethoxyphenyl)amino]-5-(4-fluorophenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CCOc(cc1)ccc1NC(C(C)=C1c(cc2)ccc2F)=NS1(=O)=O

InChI

InChI=1S/C18H17FN2O3S/c1-3-24-16-10-8-15(9-11-16)20-18-12(2)17(25(22,23)21-18)13-4-6-14(19)7-5-13/h4-11H,3H2,1-2H3,(H,20,21)

InChI Key

YDWSTMPTWFRZFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

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

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-3.96

Polar Surface Area

57.968

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G001-0716 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 G001-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0716?
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What is the minimum amount of G001-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0716
  • 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 G001-0716 available by request