K784-0804 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-phenylethyl)propanamide

K784-0804 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-phenylethyl)propanamide
K784-0804 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-0804
3-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-phenylethyl)propanamide

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

K784-0804

Molecular Formula

C18H20FNOS (C18 H20 FNOS)

Compound Name

3-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-phenylethyl)propanamide

IUPAC name

3-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-phenylethyl)propanamide

SMILES

O=C(CCSCc1cc(F)ccc1)NCCc1ccccc1

InChI

InChI=1S/C18H20FNOS/c19-17-8-4-7-16(13-17)14-22-12-10-18(21)20-11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,21)

InChI Key

LPCDHKVGSCAZLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.75

Polar Surface Area

24.280

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

K784-0804 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

NOTUM (Wnt signaling) Library (3881 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 K784-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-0804?
Check Price and Availability of K784-0804, 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 K784-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-0804
  • 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 K784-0804 available by request