D042-0037 Screening compound: 3-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-phenylbenzamide

D042-0037 Screening compound: 3-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-phenylbenzamide
D042-0037 Screening compound: 3-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0037
3-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-phenylbenzamide

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

D042-0037

Molecular Formula

C24H19ClN2O2 (C24 H19 ClN2 O2)

Compound Name

3-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-phenylbenzamide

IUPAC name

3-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-phenylbenzamide

SMILES

Cc(cccc1cc2CN(C(c3cccc(Cl)c3)=O)c3ccccc3)c1nc2O

InChI

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

InChI Key

PBUIHQFUHYEWCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08107266

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

5.499

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.65

Polar Surface Area

41.651

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D042-0037 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D042-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0037?
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What is the minimum amount of D042-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0037
  • 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 D042-0037 available by request