K786-6223 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide

K786-6223 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide
K786-6223 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6223
N-[(2-chloro-4-fluorophenyl)methyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-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

K786-6223

Molecular Formula

C20H16Cl2FNO2S (C20 H16 Cl2 FNO2 S)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide

SMILES

O=C(c1ccc(CSCc(cccc2)c2Cl)o1)NCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C20H16Cl2FNO2S/c21-17-4-2-1-3-14(17)11-27-12-16-7-8-19(26-16)20(25)24-10-13-5-6-15(23)9-18(13)22/h1-9H,10-12H2,(H,24,25)

InChI Key

WKJJMVZTUVIKNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-6.29

Polar Surface Area

32.222

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

K786-6223 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-6223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6223?
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What is the minimum amount of K786-6223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6223
  • 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 K786-6223 available by request