K786-9070 Screening compound: 2-[(4-ethoxyphenyl)sulfanyl]-N-[(pyridin-3-yl)methyl]quinoline-4-carboxamide

K786-9070 Screening compound: 2-[(4-ethoxyphenyl)sulfanyl]-N-[(pyridin-3-yl)methyl]quinoline-4-carboxamide
K786-9070 Screening compound: 2-[(4-ethoxyphenyl)sulfanyl]-N-[(pyridin-3-yl)methyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9070
2-[(4-ethoxyphenyl)sulfanyl]-N-[(pyridin-3-yl)methyl]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

K786-9070

Molecular Formula

C24H21N3O2S (C24 H21 N3 O2 S)

Compound Name

2-[(4-ethoxyphenyl)sulfanyl]-N-[(pyridin-3-yl)methyl]quinoline-4-carboxamide

IUPAC name

2-[(4-ethoxyphenyl)sulfanyl]-N-[(pyridin-3-yl)methyl]quinoline-4-carboxamide

SMILES

CCOc(cc1)ccc1Sc1nc2ccccc2c(C(NCc2cnccc2)=O)c1

InChI

InChI=1S/C24H21N3O2S/c1-2-29-18-9-11-19(12-10-18)30-23-14-21(20-7-3-4-8-22(20)27-23)24(28)26-16-17-6-5-13-25-15-17/h3-15H,2,16H2,1H3,(H,26,28)

InChI Key

RLZSTNWRNQOQKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.010

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-4.61

Polar Surface Area

48.713

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K786-9070 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with K786-9070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9070?
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What is the minimum amount of K786-9070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9070
  • 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 K786-9070 available by request