D042-0163 Screening compound: 3-chloro-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide

D042-0163 Screening compound: 3-chloro-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide
D042-0163 Screening compound: 3-chloro-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0163
3-chloro-N-(2,5-dimethylphenyl)-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

D042-0163

Molecular Formula

C26H23ClN2O2 (C26 H23 ClN2 O2)

Compound Name

3-chloro-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide

IUPAC name

3-chloro-N-(25-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide

SMILES

Cc(cc1cc2CN(C(c3cccc(Cl)c3)=O)c3c(C)ccc(C)c3)ccc1nc2O

InChI

InChI=1S/C26H23ClN2O2/c1-16-8-10-23-20(11-16)13-21(25(30)28-23)15-29(24-12-17(2)7-9-18(24)3)26(31)19-5-4-6-22(27)14-19/h4-14H,15H2,1-3H3,(H,28,30)

InChI Key

OKGLUUUAPKBZDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08110967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.93

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

6.660

Distribution Coefficient, logD

6.649

Water Solubility, LogSw

-5.91

Polar Surface Area

40.580

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D042-0163 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D042-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0163?
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What is the minimum amount of D042-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0163
  • 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 D042-0163 available by request