D042-0457 Screening compound: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylmethanesulfonamide

D042-0457 Screening compound: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylmethanesulfonamide
D042-0457 Screening compound: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0457
N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-methylmethanesulfonamide

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

D042-0457

Molecular Formula

C13H16N2O4S (C13 H16 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-15(20(3,17)18)8-10-6-9-7-11(19-2)4-5-12(9)14-13(10)16/h4-7H,8H2,1-3H3,(H,14,16)

InChI Key

NREKJVHOKINQPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06623895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.437

Distribution Coefficient, logD

1.424

Water Solubility, LogSw

-2.39

Polar Surface Area

65.402

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

D042-0457 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D042-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0457?
Check Price and Availability of D042-0457, 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 D042-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0457
  • 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 D042-0457 available by request