Y040-9253 Screening compound: 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid

Y040-9253 Screening compound: 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
Y040-9253 Screening compound: 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9253
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid

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

Y040-9253

Molecular Formula

C14H17ClN2O3 (C14 H17 ClN2 O3)

Compound Name

4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid

IUPAC name

4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid

SMILES

OC(CCC(N(CC1)CCN1c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C14H17ClN2O3/c15-11-2-1-3-12(10-11)16-6-8-17(9-7-16)13(18)4-5-14(19)20/h1-3,10H,4-9H2,(H,19,20)

InChI Key

WXRVQNROAZAVKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.302

Distribution Coefficient, logD

-1.648

Water Solubility, LogSw

-2.29

Polar Surface Area

48.275

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

Y040-9253 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Arginase Targeted Library (2009 compounds)

Soluble Diversity Library (15920 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
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with Y040-9253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9253?
Check Price and Availability of Y040-9253, 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 Y040-9253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9253
  • 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 Y040-9253 available by request