K786-9277 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide

K786-9277 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide
K786-9277 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9277
N-[2-(4-chlorophenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}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

K786-9277

Molecular Formula

C27H25ClN2OS (C27 H25 ClN2 OS)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide

SMILES

CC(C)c(cc1)ccc1Sc1nc2ccccc2c(C(NCCc(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C27H25ClN2OS/c1-18(2)20-9-13-22(14-10-20)32-26-17-24(23-5-3-4-6-25(23)30-26)27(31)29-16-15-19-7-11-21(28)12-8-19/h3-14,17-18H,15-16H2,1-2H3,(H,29,31)

InChI Key

QQWWNWVQGYOVDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.735

Distribution Coefficient, logD

7.735

Water Solubility, LogSw

-6.45

Polar Surface Area

31.913

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

K786-9277 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K786-9277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9277?
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What is the minimum amount of K786-9277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9277
  • 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 K786-9277 available by request