D042-0052 Screening compound: N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-propylmethanesulfonamide

D042-0052 Screening compound: N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-propylmethanesulfonamide
D042-0052 Screening compound: N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-propylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0052
N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-propylmethanesulfonamide

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

D042-0052

Molecular Formula

C15H20N2O3S (C15 H20 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(Cc1cc2cccc(C)c2nc1O)S(C)(=O)=O

InChI

InChI=1S/C15H20N2O3S/c1-4-8-17(21(3,19)20)10-13-9-12-7-5-6-11(2)14(12)16-15(13)18/h5-7,9H,4,8,10H2,1-3H3,(H,16,18)

InChI Key

XUMBTHUQKJJLLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06000711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-2.96

Polar Surface Area

57.418

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D042-0052 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with D042-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0052?
Check Price and Availability of D042-0052, 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 D042-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0052
  • 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 D042-0052 available by request