E882-1098 Screening compound: 5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-one

E882-1098 Screening compound: 5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
E882-1098 Screening compound: 5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1098
5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3,3-dimethyl-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

E882-1098

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

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

IUPAC name

5-{[4-(23-dimethylphenyl)piperazin-1-yl]sulfonyl}-33-dimethyl-23-dihydro-1H-indol-2-one

SMILES

CC(C)(c(cc(cc1)S(N(CC2)CCN2c2c(C)c(C)ccc2)(=O)=O)c1N1)C1=O

InChI

InChI=1S/C22H27N3O3S/c1-15-6-5-7-20(16(15)2)24-10-12-25(13-11-24)29(27,28)17-8-9-19-18(14-17)22(3,4)21(26)23-19/h5-9,14H,10-13H2,1-4H3,(H,23,26)

InChI Key

SXOJKIVTWFHFFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.19

Polar Surface Area

60.152

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E882-1098 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E882-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1098?
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What is the minimum amount of E882-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1098
  • 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 E882-1098 available by request