E966-0493 Screening compound: 5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one

E966-0493 Screening compound: 5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
E966-0493 Screening compound: 5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-0493
5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-(propan-2-ylidene)-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

E966-0493

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)=C(c(cc(cc1)S(N(CC2)CCN2C2CCCCC2)(=O)=O)c1N1)C1=O

InChI

InChI=1S/C21H29N3O3S/c1-15(2)20-18-14-17(8-9-19(18)22-21(20)25)28(26,27)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,22,25)

InChI Key

JQDWOMIWEPVFBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.82

Polar Surface Area

60.286

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

E966-0493 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E966-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-0493?
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What is the minimum amount of E966-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-0493
  • 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 E966-0493 available by request