4378-0100 Screening compound: 2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile

4378-0100 Screening compound: 2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
4378-0100 Screening compound: 2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4378-0100
2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile

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

4378-0100

Molecular Formula

C22H20N2O2S2 (C22 H20 N2 O2 S2)

Compound Name

2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile

IUPAC name

2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-46-diphenylpyridine-3-carbonitrile

SMILES

CCS(CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)(=O)=O

InChI

InChI=1S/C22H20N2O2S2/c1-2-28(25,26)14-13-27-22-20(16-23)19(17-9-5-3-6-10-17)15-21(24-22)18-11-7-4-8-12-18/h3-12,15H,2,13-14H2,1H3

InChI Key

NIPRYOZJQUDXFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.62

Polar Surface Area

53.799

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 4378-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4378-0100?
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What is the minimum amount of 4378-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4378-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4378-0100
  • 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 4378-0100 available by request