Y040-9436 Screening compound: 5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentanoic acid

Y040-9436 Screening compound: 5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
Y040-9436 Screening compound: 5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9436
5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentanoic 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

Y040-9436

Molecular Formula

C15H19ClN2O3 (C15 H19 ClN2 O3)

Compound Name

5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentanoic acid

IUPAC name

5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentanoic acid

SMILES

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

InChI

InChI=1S/C15H19ClN2O3/c16-12-3-1-4-13(11-12)17-7-9-18(10-8-17)14(19)5-2-6-15(20)21/h1,3-4,11H,2,5-10H2,(H,20,21)

InChI Key

DYHIYKFBLHNKCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

-1.142

Water Solubility, LogSw

-2.30

Polar Surface Area

48.275

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

Y040-9436 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Arginase Targeted Library (2009 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with Y040-9436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9436?
Check Price and Availability of Y040-9436, 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 Y040-9436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9436
  • 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 Y040-9436 available by request