E198-0180 Screening compound: 5-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one

E198-0180 Screening compound: 5-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one
E198-0180 Screening compound: 5-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E198-0180
5-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one

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

E198-0180

Molecular Formula

C21H24FN3O3S (C21 H24 FN3 O3 S)

Compound Name

5-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one

IUPAC name

n/a

SMILES

CC(C)(c(cc(cc1)S(N(CC2)CCN2c(cccc2)c2F)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C21H24FN3O3S/c1-21(2)16-14-15(8-9-18(16)23(3)20(21)26)29(27,28)25-12-10-24(11-13-25)19-7-5-4-6-17(19)22/h4-9,14H,10-13H2,1-3H3

InChI Key

FDMHZUKOVVPPCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.77

Polar Surface Area

50.415

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E198-0180 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Purinergic Library (3321 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E198-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E198-0180?
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What is the minimum amount of E198-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E198-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E198-0180
  • 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 E198-0180 available by request