Y040-6842 Screening compound: 5-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid

Y040-6842 Screening compound: 5-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid
Y040-6842 Screening compound: 5-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6842
5-[4-(4-fluorobenzenesulfonyl)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

Y040-6842

Molecular Formula

C15H19FN2O5S (C15 H19 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

OC(CCCC(N(CC1)CCN1S(c(cc1)ccc1F)(=O)=O)=O)=O

InChI

InChI=1S/C15H19FN2O5S/c16-12-4-6-13(7-5-12)24(22,23)18-10-8-17(9-11-18)14(19)2-1-3-15(20)21/h4-7H,1-3,8-11H2,(H,20,21)

InChI Key

QXUHFHMGHSFRGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06058801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.328

Distribution Coefficient, logD

-2.270

Water Solubility, LogSw

-2.12

Polar Surface Area

76.534

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

Y040-6842 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-6842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6842?
Check Price and Availability of Y040-6842, 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 Y040-6842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6842
  • 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 Y040-6842 available by request