D042-0458 Screening compound: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylbenzenesulfonamide

D042-0458 Screening compound: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylbenzenesulfonamide
D042-0458 Screening compound: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylbenzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0458
N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylbenzenesulfonamide

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

D042-0458

Molecular Formula

C18H18N2O4S (C18 H18 N2 O4 S)

Compound Name

N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylbenzenesulfonamide

IUPAC name

N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylbenzenesulfonamide

SMILES

CN(Cc1cc2cc(OC)ccc2nc1O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C18H18N2O4S/c1-20(25(22,23)16-6-4-3-5-7-16)12-14-10-13-11-15(24-2)8-9-17(13)19-18(14)21/h3-11H,12H2,1-2H3,(H,19,21)

InChI Key

LPFVNJRSZDCUEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06603917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.34

Polar Surface Area

65.638

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D042-0458 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D042-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0458?
Check Price and Availability of D042-0458, 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 D042-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0458
  • 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 D042-0458 available by request