6186-3351 Screening compound: 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate

6186-3351 Screening compound: 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
6186-3351 Screening compound: 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3351
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate

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

6186-3351

Molecular Formula

C20H21FN2O3 (C20 H21 FN2 O3)

Compound Name

2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate

IUPAC name

2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate

SMILES

CC(OC(C(N(CC1)CCN1c(cccc1)c1F)=O)c1ccccc1)=O

InChI

InChI=1S/C20H21FN2O3/c1-15(24)26-19(16-7-3-2-4-8-16)20(25)23-13-11-22(12-14-23)18-10-6-5-9-17(18)21/h2-10,19H,11-14H2,1H3/t19-/m1/s1

InChI Key

NHSSJNVMAAOQIR-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03292127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.21

Polar Surface Area

40.353

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

6186-3351 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6186-3351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3351?
Check Price and Availability of 6186-3351, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6186-3351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3351
  • 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 6186-3351 available by request