K781-5819 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N-(2-phenylethyl)acetamide

K781-5819 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N-(2-phenylethyl)acetamide
K781-5819 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5819
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N-(2-phenylethyl)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

K781-5819

Molecular Formula

C19H23NO3S (C19 H23 NO3 S)

Compound Name

2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{[(23-dimethoxyphenyl)methyl]sulfanyl}-N-(2-phenylethyl)acetamide

SMILES

COc1cccc(CSCC(NCCc2ccccc2)=O)c1OC

InChI

InChI=1S/C19H23NO3S/c1-22-17-10-6-9-16(19(17)23-2)13-24-14-18(21)20-12-11-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,20,21)

InChI Key

MLRFILDPOJPUTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.45

Polar Surface Area

39.627

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K781-5819 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 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 K781-5819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5819?
Check Price and Availability of K781-5819, 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 K781-5819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5819
  • 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 K781-5819 available by request