K786-7474 Screening compound: 2-[(2,4-difluorophenyl)sulfanyl]-N-(3-methylbutyl)quinoline-4-carboxamide

K786-7474 Screening compound: 2-[(2,4-difluorophenyl)sulfanyl]-N-(3-methylbutyl)quinoline-4-carboxamide
K786-7474 Screening compound: 2-[(2,4-difluorophenyl)sulfanyl]-N-(3-methylbutyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7474
2-[(2,4-difluorophenyl)sulfanyl]-N-(3-methylbutyl)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

K786-7474

Molecular Formula

C21H20F2N2OS (C21 H20 F2 N2 OS)

Compound Name

2-[(2,4-difluorophenyl)sulfanyl]-N-(3-methylbutyl)quinoline-4-carboxamide

IUPAC name

2-[(24-difluorophenyl)sulfanyl]-N-(3-methylbutyl)quinoline-4-carboxamide

SMILES

CC(C)CCNC(c1cc(Sc(ccc(F)c2)c2F)nc2ccccc12)=O

InChI

InChI=1S/C21H20F2N2OS/c1-13(2)9-10-24-21(26)16-12-20(25-18-6-4-3-5-15(16)18)27-19-8-7-14(22)11-17(19)23/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)

InChI Key

HLINHBRAGGNJKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.926

Distribution Coefficient, logD

5.926

Water Solubility, LogSw

-5.70

Polar Surface Area

32.185

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K786-7474 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-7474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7474?
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What is the minimum amount of K786-7474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7474
  • 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 K786-7474 available by request