D042-0269 Screening compound: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-methylmethanesulfonamide

D042-0269 Screening compound: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-methylmethanesulfonamide
D042-0269 Screening compound: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-methylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0269
N-[(2-hydroxy-7-methylquinolin-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

D042-0269

Molecular Formula

C13H16N2O3S (C13 H16 N2 O3 S)

Compound Name

N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-methylmethanesulfonamide

IUPAC name

N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-methylmethanesulfonamide

SMILES

Cc1ccc(cc(CN(C)S(C)(=O)=O)c(O)n2)c2c1

InChI

InChI=1S/C13H16N2O3S/c1-9-4-5-10-7-11(8-15(2)19(3,17)18)13(16)14-12(10)6-9/h4-7H,8H2,1-3H3,(H,14,16)

InChI Key

HSEMZNCEFBNJGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06604213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.807

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-2.43

Polar Surface Area

57.858

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D042-0269 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D042-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0269?
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What is the minimum amount of D042-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0269
  • 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 D042-0269 available by request