K786-9055 Screening compound: 2-[(4-ethoxyphenyl)sulfanyl]-N-(2-phenylethyl)quinoline-4-carboxamide

K786-9055 Screening compound: 2-[(4-ethoxyphenyl)sulfanyl]-N-(2-phenylethyl)quinoline-4-carboxamide
K786-9055 Screening compound: 2-[(4-ethoxyphenyl)sulfanyl]-N-(2-phenylethyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9055
2-[(4-ethoxyphenyl)sulfanyl]-N-(2-phenylethyl)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

K786-9055

Molecular Formula

C26H24N2O2S (C26 H24 N2 O2 S)

Compound Name

2-[(4-ethoxyphenyl)sulfanyl]-N-(2-phenylethyl)quinoline-4-carboxamide

IUPAC name

2-[(4-ethoxyphenyl)sulfanyl]-N-(2-phenylethyl)quinoline-4-carboxamide

SMILES

CCOc(cc1)ccc1Sc1nc2ccccc2c(C(NCCc2ccccc2)=O)c1

InChI

InChI=1S/C26H24N2O2S/c1-2-30-20-12-14-21(15-13-20)31-25-18-23(22-10-6-7-11-24(22)28-25)26(29)27-17-16-19-8-4-3-5-9-19/h3-15,18H,2,16-17H2,1H3,(H,27,29)

InChI Key

MZNPKEDFLDQXSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

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

6.171

Distribution Coefficient, logD

6.171

Water Solubility, LogSw

-5.74

Polar Surface Area

39.037

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K786-9055 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 K786-9055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9055?
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What is the minimum amount of K786-9055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9055
  • 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 K786-9055 available by request