D042-0097 Screening compound: N-(2,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide

D042-0097 Screening compound: N-(2,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide
D042-0097 Screening compound: N-(2,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0097
N-(2,4-dimethylphenyl)-N-[(2-hydroxy-7-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

D042-0097

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

N-(2,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide

IUPAC name

N-(24-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide

SMILES

Cc(cc1)cc(C)c1N(Cc1cc2ccc(C)cc2nc1O)S(C)(=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-13-6-8-19(15(3)9-13)22(26(4,24)25)12-17-11-16-7-5-14(2)10-18(16)21-20(17)23/h5-11H,12H2,1-4H3,(H,21,23)

InChI Key

DAYZDTDMWURSKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.27

Polar Surface Area

56.546

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D042-0097 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D042-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0097?
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What is the minimum amount of D042-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0097
  • 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 D042-0097 available by request