K786-7031 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}acetamide

K786-7031 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}acetamide
K786-7031 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7031
N-[(2-chloro-4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}acetamide

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

K786-7031

Molecular Formula

C16H14ClF2NOS (C16 H14 ClF2 NOS)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}acetamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}acetamide

SMILES

O=C(CSCc(cc1)ccc1F)NCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C16H14ClF2NOS/c17-15-7-14(19)6-3-12(15)8-20-16(21)10-22-9-11-1-4-13(18)5-2-11/h1-7H,8-10H2,(H,20,21)

InChI Key

QRFFXEDEHWVQNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.37

Polar Surface Area

24.438

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K786-7031 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K786-7031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7031?
Check Price and Availability of K786-7031, 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 K786-7031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7031
  • 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 K786-7031 available by request