D042-0179 Screening compound: 3-chloro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-propylbenzamide

D042-0179 Screening compound: 3-chloro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-propylbenzamide
D042-0179 Screening compound: 3-chloro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0179
3-chloro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-propylbenzamide

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

D042-0179

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

3-chloro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-propylbenzamide

IUPAC name

3-chloro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-propylbenzamide

SMILES

CCCN(Cc1cc2cc(C)ccc2nc1O)C(c1cccc(Cl)c1)=O

InChI

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

InChI Key

QXAYJRWMNIBSKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08110971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.779

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-4.60

Polar Surface Area

41.719

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D042-0179 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D042-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0179?
Check Price and Availability of D042-0179, 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 D042-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0179
  • 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 D042-0179 available by request