E966-0111 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one

E966-0111 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
E966-0111 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-0111
5-[(4-benzylpiperazin-1-yl)sulfonyl]-3-(propan-2-yl)-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

E966-0111

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

5-[(4-benzylpiperazin-1-yl)sulfonyl]-3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

5-[(4-benzylpiperazin-1-yl)sulfonyl]-3-(propan-2-yl)-23-dihydro-1H-indol-2-one

SMILES

CC(C)C(c(cc(cc1)S(N2CCN(Cc3ccccc3)CC2)(=O)=O)c1N1)C1=O

InChI

InChI=1S/C22H27N3O3S/c1-16(2)21-19-14-18(8-9-20(19)23-22(21)26)29(27,28)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,23,26)/t21-/m0/s1

InChI Key

MULZQNIBBPVYNK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14933619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.46

Polar Surface Area

60.733

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E966-0111 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 E966-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-0111?
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What is the minimum amount of E966-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-0111
  • 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 E966-0111 available by request