Y040-9668 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline

Y040-9668 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline
Y040-9668 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9668
4-[4-(4-fluorobenzenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-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

Y040-9668

Molecular Formula

C25H21FN4O3S (C25 H21 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(-c2ccncc2)nc2ccccc12)N(CC1)CCN1S(c(cc1)ccc1F)(=O)=O

InChI

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

InChI Key

VNBJOSLWDNVJOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04058649

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

3.624

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-4.01

Polar Surface Area

65.893

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

Y040-9668 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with Y040-9668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9668?
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What is the minimum amount of Y040-9668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9668
  • 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 Y040-9668 available by request