G001-0763 Screening compound: 3-(2,3-dihydro-1H-indol-1-yl)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

G001-0763 Screening compound: 3-(2,3-dihydro-1H-indol-1-yl)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
G001-0763 Screening compound: 3-(2,3-dihydro-1H-indol-1-yl)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0763
3-(2,3-dihydro-1H-indol-1-yl)-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

G001-0763

Molecular Formula

C18H15FN2O2S (C18 H15 FN2 O2 S)

Compound Name

3-(2,3-dihydro-1H-indol-1-yl)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-(23-dihydro-1H-indol-1-yl)-5-(4-fluorophenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(N(CC1)c2c1cccc2)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C18H15FN2O2S/c1-12-17(14-6-8-15(19)9-7-14)24(22,23)20-18(12)21-11-10-13-4-2-3-5-16(13)21/h2-9H,10-11H2,1H3

InChI Key

AFINDPOFNSCJMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.717

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-3.98

Polar Surface Area

42.161

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G001-0763 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with G001-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0763?
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What is the minimum amount of G001-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0763
  • 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 G001-0763 available by request