K786-8289 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide

K786-8289 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide
K786-8289 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8289
N-[2-(4-chlorophenyl)ethyl]-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

K786-8289

Molecular Formula

C21H19Cl2NO2S (C21 H19 Cl2 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSCc(cccc2)c2Cl)o1)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C21H19Cl2NO2S/c22-17-7-5-15(6-8-17)11-12-24-21(25)20-10-9-18(26-20)14-27-13-16-3-1-2-4-19(16)23/h1-10H,11-14H2,(H,24,25)

InChI Key

JBRQFMFKKSOHQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.95

Polar Surface Area

32.063

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K786-8289 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K786-8289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8289?
Check Price and Availability of K786-8289, 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 K786-8289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8289
  • 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 K786-8289 available by request