D042-0168 Screening compound: 3-chloro-N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide

D042-0168 Screening compound: 3-chloro-N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide
D042-0168 Screening compound: 3-chloro-N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0168
3-chloro-N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide

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

D042-0168

Molecular Formula

C26H23ClN2O3 (C26 H23 ClN2 O3)

Compound Name

3-chloro-N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide

IUPAC name

3-chloro-N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide

SMILES

CCOc(cc1)ccc1N(Cc1cc2cc(C)ccc2nc1O)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C26H23ClN2O3/c1-3-32-23-10-8-22(9-11-23)29(26(31)18-5-4-6-21(27)15-18)16-20-14-19-13-17(2)7-12-24(19)28-25(20)30/h4-15H,3,16H2,1-2H3,(H,28,30)

InChI Key

OLKKSYRJILXZCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08110970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.073

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-5.70

Polar Surface Area

48.004

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D042-0168 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

References: we are preparing a list of scientific research reports with D042-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0168?
Check Price and Availability of D042-0168, 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 D042-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0168
  • 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 D042-0168 available by request