K784-0961 Screening compound: N-benzyl-2-{[(3-fluorophenyl)methyl]sulfanyl}acetamide

K784-0961 Screening compound: N-benzyl-2-{[(3-fluorophenyl)methyl]sulfanyl}acetamide
K784-0961 Screening compound: N-benzyl-2-{[(3-fluorophenyl)methyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-0961
N-benzyl-2-{[(3-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

K784-0961

Molecular Formula

C16H16FNOS (C16 H16 FNOS)

Compound Name

N-benzyl-2-{[(3-fluorophenyl)methyl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[(3-fluorophenyl)methyl]sulfanyl}acetamide

SMILES

O=C(CSCc1cc(F)ccc1)NCc1ccccc1

InChI

InChI=1S/C16H16FNOS/c17-15-8-4-7-14(9-15)11-20-12-16(19)18-10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,18,19)

InChI Key

LYRMTJHTGHQCCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.37

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

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.02

Polar Surface Area

24.438

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K784-0961 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K784-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-0961?
Check Price and Availability of K784-0961, 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 K784-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-0961
  • 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 K784-0961 available by request