D042-0294 Screening compound: 3-chloro-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide

D042-0294 Screening compound: 3-chloro-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
D042-0294 Screening compound: 3-chloro-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0294
3-chloro-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methylphenyl)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

D042-0294

Molecular Formula

C24H19ClN2O2 (C24 H19 ClN2 O2)

Compound Name

3-chloro-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide

IUPAC name

3-chloro-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(N(Cc2cc3ccccc3nc2O)C(c2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C24H19ClN2O2/c1-16-6-4-10-21(12-16)27(24(29)18-8-5-9-20(25)14-18)15-19-13-17-7-2-3-11-22(17)26-23(19)28/h2-14H,15H2,1H3,(H,26,28)

InChI Key

UJVREJBSCMBISO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.518

Distribution Coefficient, logD

5.506

Water Solubility, LogSw

-5.66

Polar Surface Area

40.881

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D042-0294 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D042-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0294?
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What is the minimum amount of D042-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0294
  • 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 D042-0294 available by request