K786-7480 Screening compound: 2-[(2,4-difluorophenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide

K786-7480 Screening compound: 2-[(2,4-difluorophenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide
K786-7480 Screening compound: 2-[(2,4-difluorophenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7480
2-[(2,4-difluorophenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]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

K786-7480

Molecular Formula

C21H18F2N2O2S (C21 H18 F2 N2 O2 S)

Compound Name

2-[(2,4-difluorophenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide

IUPAC name

2-[(24-difluorophenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide

SMILES

O=C(c1cc(Sc(ccc(F)c2)c2F)nc2ccccc12)NCC1OCCC1

InChI

InChI=1S/C21H18F2N2O2S/c22-13-7-8-19(17(23)10-13)28-20-11-16(15-5-1-2-6-18(15)25-20)21(26)24-12-14-4-3-9-27-14/h1-2,5-8,10-11,14H,3-4,9,12H2,(H,24,26)/t14-/m1/s1

InChI Key

VETYAGIYHMVXIZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05033094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.32

Polar Surface Area

40.726

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

K786-7480 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-7480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7480?
Check Price and Availability of K786-7480, 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 K786-7480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7480
  • 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 K786-7480 available by request