K786-7594 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-{[(4-methylphenyl)methyl]sulfanyl}acetamide

K786-7594 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-{[(4-methylphenyl)methyl]sulfanyl}acetamide
K786-7594 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-{[(4-methylphenyl)methyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7594
N-{2-[butyl(methyl)amino]ethyl}-2-{[(4-methylphenyl)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

K786-7594

Molecular Formula

C17H28N2OS (C17 H28 N2 OS)

Compound Name

N-{2-[butyl(methyl)amino]ethyl}-2-{[(4-methylphenyl)methyl]sulfanyl}acetamide

IUPAC name

N-{2-[butyl(methyl)amino]ethyl}-2-{[(4-methylphenyl)methyl]sulfanyl}acetamide

SMILES

CCCCN(C)CCNC(CSCc1ccc(C)cc1)=O

InChI

InChI=1S/C17H28N2OS/c1-4-5-11-19(3)12-10-18-17(20)14-21-13-16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,18,20)

InChI Key

VPJRVQRYPLXNSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833306

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

308.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

1.811

Water Solubility, LogSw

-3.13

Polar Surface Area

28.624

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

K786-7594 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K786-7594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7594?
Check Price and Availability of K786-7594, 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 K786-7594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7594
  • 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 K786-7594 available by request