D042-0165 Screening compound: N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]methanesulfonamide

D042-0165 Screening compound: N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]methanesulfonamide
D042-0165 Screening compound: N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0165
N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]methanesulfonamide

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

D042-0165

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]methanesulfonamide

IUPAC name

N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]methanesulfonamide

SMILES

CCOc(cc1)ccc1N(Cc1cc2cc(C)ccc2nc1O)S(C)(=O)=O

InChI

InChI=1S/C20H22N2O4S/c1-4-26-18-8-6-17(7-9-18)22(27(3,24)25)13-16-12-15-11-14(2)5-10-19(15)21-20(16)23/h5-12H,4,13H2,1-3H3,(H,21,23)

InChI Key

XAZSQJRJTCSDAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.81

Polar Surface Area

63.971

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D042-0165 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D042-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0165?
Check Price and Availability of D042-0165, 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 D042-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0165
  • 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 D042-0165 available by request