G069-0426 Screening compound: 5-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one

G069-0426 Screening compound: 5-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one
G069-0426 Screening compound: 5-{[4-(4-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 G069-0426
5-{[4-(4-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

G069-0426

Molecular Formula

C21H24FN3O3S (C21 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(c(cc(cc1)S(N(CC2)CCN2c(cc2)ccc2F)(=O)=O)c1N1C)C1=O

InChI

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

InChI Key

AUPVFFYQXXUJOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978387

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

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.61

Polar Surface Area

50.716

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G069-0426 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G069-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G069-0426?
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What is the minimum amount of G069-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G069-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G069-0426
  • 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 G069-0426 available by request