K786-9025 Screening compound: 2-[(4-ethylphenyl)sulfanyl]-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

K786-9025 Screening compound: 2-[(4-ethylphenyl)sulfanyl]-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
K786-9025 Screening compound: 2-[(4-ethylphenyl)sulfanyl]-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9025
2-[(4-ethylphenyl)sulfanyl]-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

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

K786-9025

Molecular Formula

C27H33N3OS (C27 H33 N3 OS)

Compound Name

2-[(4-ethylphenyl)sulfanyl]-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

IUPAC name

2-[(4-ethylphenyl)sulfanyl]-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

SMILES

CCc(cc1)ccc1Sc1nc2ccccc2c(C(NCCCN2CCC(C)CC2)=O)c1

InChI

InChI=1S/C27H33N3OS/c1-3-21-9-11-22(12-10-21)32-26-19-24(23-7-4-5-8-25(23)29-26)27(31)28-15-6-16-30-17-13-20(2)14-18-30/h4-5,7-12,19-20H,3,6,13-18H2,1-2H3,(H,28,31)

InChI Key

MEKBTQIQSFJGQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.492

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-5.74

Polar Surface Area

35.896

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K786-9025 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-9025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9025?
Check Price and Availability of K786-9025, 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 K786-9025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9025
  • 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 K786-9025 available by request