K786-9269 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide

K786-9269 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
K786-9269 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9269
N-[(2-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide

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

K786-9269

Molecular Formula

C25H22N2O2S2 (C25 H22 N2 O2 S2)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide

SMILES

COc1c(CNC(c2cc(Sc3cc(SC)ccc3)nc3ccccc23)=O)cccc1

InChI

InChI=1S/C25H22N2O2S2/c1-29-23-13-6-3-8-17(23)16-26-25(28)21-15-24(27-22-12-5-4-11-20(21)22)31-19-10-7-9-18(14-19)30-2/h3-15H,16H2,1-2H3,(H,26,28)

InChI Key

GLIULHYIZJUSQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.377

Distribution Coefficient, logD

6.377

Water Solubility, LogSw

-5.82

Polar Surface Area

39.702

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K786-9269 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K786-9269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9269?
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What is the minimum amount of K786-9269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9269
  • 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 K786-9269 available by request