0422-0081 Screening compound: quinolin-8-yl 4-methylbenzene-1-sulfonate

0422-0081 Screening compound: quinolin-8-yl 4-methylbenzene-1-sulfonate
0422-0081 Screening compound: quinolin-8-yl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0422-0081
quinolin-8-yl 4-methylbenzene-1-sulfonate

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

0422-0081

Molecular Formula

C16H13NO3S (C16 H13 NO3 S)

Compound Name

quinolin-8-yl 4-methylbenzene-1-sulfonate

IUPAC name

quinolin-8-yl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc1cccc2cccnc12)(=O)=O

InChI

InChI=1S/C16H13NO3S/c1-12-7-9-14(10-8-12)21(18,19)20-15-6-2-4-13-5-3-11-17-16(13)15/h2-11H,1H3

InChI Key

WJVMBQQDRQGWNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00169011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.44

Polar Surface Area

45.620

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0422-0081 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0422-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0422-0081?
Check Price and Availability of 0422-0081, 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 0422-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0422-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0422-0081
  • 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 0422-0081 available by request