K786-8521 Screening compound: 2-[(3-chlorophenyl)sulfanyl]-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]quinoline

K786-8521 Screening compound: 2-[(3-chlorophenyl)sulfanyl]-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]quinoline
K786-8521 Screening compound: 2-[(3-chlorophenyl)sulfanyl]-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8521
2-[(3-chlorophenyl)sulfanyl]-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]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

K786-8521

Molecular Formula

C25H21ClN4OS (C25 H21 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(Sc2cccc(Cl)c2)nc2ccccc12)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C25H21ClN4OS/c26-18-6-5-7-19(16-18)32-24-17-21(20-8-1-2-9-22(20)28-24)25(31)30-14-12-29(13-15-30)23-10-3-4-11-27-23/h1-11,16-17H,12-15H2

InChI Key

DWXLAXSGGDBBLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.858

Distribution Coefficient, logD

5.849

Water Solubility, LogSw

-6.08

Polar Surface Area

36.079

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K786-8521 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K786-8521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8521?
Check Price and Availability of K786-8521, 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 K786-8521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8521
  • 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 K786-8521 available by request