K786-3732 Screening compound: N-[(4-ethoxyphenyl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide

K786-3732 Screening compound: N-[(4-ethoxyphenyl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide
K786-3732 Screening compound: N-[(4-ethoxyphenyl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3732
N-[(4-ethoxyphenyl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)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

K786-3732

Molecular Formula

C28H28N4O5S (C28 H28 N4 O5 S)

Compound Name

N-[(4-ethoxyphenyl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide

IUPAC name

N-[(4-ethoxyphenyl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide

SMILES

CCOc1ccc(CNC(c2c(cc(cc3)S(N4CCOCC4)(=O)=O)c3nc(-c3ncccc3)c2)=O)cc1

InChI

InChI=1S/C28H28N4O5S/c1-2-37-21-8-6-20(7-9-21)19-30-28(33)24-18-27(26-5-3-4-12-29-26)31-25-11-10-22(17-23(24)25)38(34,35)32-13-15-36-16-14-32/h3-12,17-18H,2,13-16,19H2,1H3,(H,30,33)

InChI Key

MPTASMHVZBLQNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.03

Polar Surface Area

88.502

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K786-3732 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K786-3732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3732?
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What is the minimum amount of K786-3732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3732
  • 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 K786-3732 available by request