D042-0195 Screening compound: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide

D042-0195 Screening compound: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide
D042-0195 Screening compound: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0195
N-(3,4-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

D042-0195

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]methanesulfonamide

SMILES

Cc1ccc(cc(CN(c2cc(C)c(C)cc2)S(C)(=O)=O)c(O)n2)c2c1

InChI

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

InChI Key

REZPCSJVDUMNGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06600672

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

4.405

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.28

Polar Surface Area

56.847

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D042-0195 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D042-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0195?
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What is the minimum amount of D042-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0195
  • 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 D042-0195 available by request