6186-3361 Screening compound: 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-octahydro-1H-isoindole-1,3-dione

6186-3361 Screening compound: 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-octahydro-1H-isoindole-1,3-dione
6186-3361 Screening compound: 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3361
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-octahydro-1H-isoindole-1,3-dione

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

6186-3361

Molecular Formula

C20H24FN3O3 (C20 H24 FN3 O3)

Compound Name

2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-octahydro-1H-isoindole-13-dione

SMILES

O=C(CN(C(C1C2CCCC1)=O)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C20H24FN3O3/c21-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18(25)13-24-19(26)16-3-1-2-4-17(16)20(24)27/h5-8,16-17H,1-4,9-13H2

InChI Key

KUECSYWODUZNSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03321670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.605

Distribution Coefficient, logD

1.605

Water Solubility, LogSw

-2.42

Polar Surface Area

49.336

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

6186-3361 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6186-3361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3361?
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What is the minimum amount of 6186-3361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3361
  • 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 6186-3361 available by request