K839-0091 Screening compound: N-[(2-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide

K839-0091 Screening compound: N-[(2-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide
K839-0091 Screening compound: N-[(2-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0091
N-[(2-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide

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

K839-0091

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

N-[(2-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide

IUPAC name

N-[(2-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide

SMILES

CCCCC(NC(c(cccc1)c1Cl)c(ccc1cccnc11)c1O)=O

InChI

InChI=1S/C21H21ClN2O2/c1-2-3-10-18(25)24-20(15-8-4-5-9-17(15)22)16-12-11-14-7-6-13-23-19(14)21(16)26/h4-9,11-13,20,26H,2-3,10H2,1H3,(H,24,25)/t20-/m0/s1

InChI Key

YJVWZPHTRDHQJX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02045694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.56

Polar Surface Area

48.803

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

K839-0091 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Hsp90-Targeted Library (11355 compounds)

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with K839-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0091?
Check Price and Availability of K839-0091, 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 K839-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0091
  • 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 K839-0091 available by request