D042-0218 Screening compound: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methylbenzene-1-sulfonamide

D042-0218 Screening compound: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methylbenzene-1-sulfonamide
D042-0218 Screening compound: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0218
N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methylbenzene-1-sulfonamide

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

D042-0218

Molecular Formula

C26H26N2O3S (C26 H26 N2 O3 S)

Compound Name

N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-(34-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(Cc1cc2ccc(C)cc2nc1O)c1cc(C)c(C)cc1)(=O)=O

InChI

InChI=1S/C26H26N2O3S/c1-17-6-11-24(12-7-17)32(30,31)28(23-10-8-19(3)20(4)14-23)16-22-15-21-9-5-18(2)13-25(21)27-26(22)29/h5-15H,16H2,1-4H3,(H,27,29)

InChI Key

LTENWDZEWWNFHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08107220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.465

Distribution Coefficient, logD

6.457

Water Solubility, LogSw

-5.92

Polar Surface Area

57.083

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with D042-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0218?
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What is the minimum amount of D042-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0218
  • 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 D042-0218 available by request