Y031-0549 Screening compound: 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one

Y031-0549 Screening compound: 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
Y031-0549 Screening compound: 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0549
2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-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

Y031-0549

Molecular Formula

C17H17ClN2O3 (C17 H17 ClN2 O3)

Compound Name

2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(Cc(cc1)ccc1Cl)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C17H17ClN2O3/c18-14-5-3-13(4-6-14)12-16(21)19-7-9-20(10-8-19)17(22)15-2-1-11-23-15/h1-6,11H,7-10,12H2

InChI Key

NJWNORNAZVOXLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-2.61

Polar Surface Area

41.394

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

Y031-0549 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y031-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0549?
Check Price and Availability of Y031-0549, 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 Y031-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0549
  • 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 Y031-0549 available by request