8005-2116 Screening compound: 4-[2-(4-methylbenzenesulfonyl)ethyl]pyridine

8005-2116 Screening compound: 4-[2-(4-methylbenzenesulfonyl)ethyl]pyridine
8005-2116 Screening compound: 4-[2-(4-methylbenzenesulfonyl)ethyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2116
4-[2-(4-methylbenzenesulfonyl)ethyl]pyridine

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

8005-2116

Molecular Formula

C14H15NO2S (C14 H15 NO2 S)

Compound Name

4-[2-(4-methylbenzenesulfonyl)ethyl]pyridine

IUPAC name

4-[2-(4-methylbenzenesulfonyl)ethyl]pyridine

SMILES

Cc(cc1)ccc1S(CCc1ccncc1)(=O)=O

InChI

InChI=1S/C14H15NO2S/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13/h2-7,9-10H,8,11H2,1H3

InChI Key

HFDOJZZDMPQLMZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

261.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.138

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-2.34

Polar Surface Area

38.431

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 8005-2116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2116?
Check Price and Availability of 8005-2116, 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 8005-2116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2116
  • 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 8005-2116 available by request