D042-0441 Screening compound: 3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzamide

D042-0441 Screening compound: 3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzamide
D042-0441 Screening compound: 3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0441
3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-(4-methoxyphenyl)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

D042-0441

Molecular Formula

C25H21ClN2O4 (C25 H21 ClN2 O4)

Compound Name

3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzamide

IUPAC name

3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzamide

SMILES

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

InChI

InChI=1S/C25H21ClN2O4/c1-31-21-8-6-20(7-9-21)28(25(30)16-4-3-5-19(26)13-16)15-18-12-17-14-22(32-2)10-11-23(17)27-24(18)29/h3-14H,15H2,1-2H3,(H,27,29)

InChI Key

FNRLGYSZDIIQIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-5.44

Polar Surface Area

55.968

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D042-0441 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D042-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0441?
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What is the minimum amount of D042-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0441
  • 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 D042-0441 available by request