3343-2854 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile

3343-2854 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
3343-2854 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-2854
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-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

3343-2854

Molecular Formula

C24H19ClN2O2S (C24 H19 ClN2 O2 S)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile

IUPAC name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(cc(C1CC1)nc1SCC(c(cc2)ccc2Cl)=O)c1C#N

InChI

InChI=1S/C24H19ClN2O2S/c1-29-19-10-6-15(7-11-19)20-12-22(16-2-3-16)27-24(21(20)13-26)30-14-23(28)17-4-8-18(25)9-5-17/h4-12,16H,2-3,14H2,1H3

InChI Key

IJFPXVMYMODRCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01237946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.394

Distribution Coefficient, logD

6.394

Water Solubility, LogSw

-6.37

Polar Surface Area

46.541

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 3343-2854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-2854?
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What is the minimum amount of 3343-2854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-2854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-2854
  • 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 3343-2854 available by request