Y040-5954 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-3-yl)quinoline

Y040-5954 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-3-yl)quinoline
Y040-5954 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-3-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5954
4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-3-yl)quinoline

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

Y040-5954

Molecular Formula

C25H21FN4O3S (C25 H21 FN4 O3 S)

Compound Name

4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-3-yl)quinoline

IUPAC name

4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-3-yl)quinoline

SMILES

O=C(c1cc(-c2cnccc2)nc2ccccc12)N(CC1)CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C25H21FN4O3S/c26-19-7-9-20(10-8-19)34(32,33)30-14-12-29(13-15-30)25(31)22-16-24(18-4-3-11-27-17-18)28-23-6-2-1-5-21(22)23/h1-11,16-17H,12-15H2

InChI Key

JIGFMPFHZOYXDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12210877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.384

Water Solubility, LogSw

-3.69

Polar Surface Area

65.983

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

Y040-5954 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-5954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5954?
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What is the minimum amount of Y040-5954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5954
  • 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 Y040-5954 available by request