E198-0074 Screening compound: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one

E198-0074 Screening compound: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one
E198-0074 Screening compound: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E198-0074
5-{[4-(2-methoxyphenyl)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

E198-0074

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

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

IUPAC name

5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-133-trimethyl-23-dihydro-1H-indol-2-one

SMILES

CC(C)(c(cc(cc1)S(N(CC2)CCN2c(cccc2)c2OC)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C22H27N3O4S/c1-22(2)17-15-16(9-10-18(17)23(3)21(22)26)30(27,28)25-13-11-24(12-14-25)19-7-5-6-8-20(19)29-4/h5-10,15H,11-14H2,1-4H3

InChI Key

YXDOWOWVCINONS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.55

Polar Surface Area

58.045

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E198-0074 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E198-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E198-0074?
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What is the minimum amount of E198-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E198-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E198-0074
  • 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 E198-0074 available by request