D042-0314 Screening compound: N-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]benzenesulfonamide

D042-0314 Screening compound: N-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]benzenesulfonamide
D042-0314 Screening compound: N-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0314
N-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]benzenesulfonamide

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

D042-0314

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

N-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]benzenesulfonamide

IUPAC name

N-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]benzenesulfonamide

SMILES

CCCCN(Cc1cc2ccccc2nc1O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-2-3-13-22(26(24,25)18-10-5-4-6-11-18)15-17-14-16-9-7-8-12-19(16)21-20(17)23/h4-12,14H,2-3,13,15H2,1H3,(H,21,23)

InChI Key

OFLIUJYGIQOZQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06597373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.066

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-3.91

Polar Surface Area

56.883

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D042-0314 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D042-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0314?
Check Price and Availability of D042-0314, 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 D042-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0314
  • 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 D042-0314 available by request