5350-0347 Screening compound: 4-(4-methoxyphenyl)-6-(2-thienyl)-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile

5350-0347 Screening compound: 4-(4-methoxyphenyl)-6-(2-thienyl)-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
5350-0347 Screening compound: 4-(4-methoxyphenyl)-6-(2-thienyl)-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5350-0347
4-(4-methoxyphenyl)-6-(2-thienyl)-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile

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

5350-0347

Molecular Formula

C17H12N2OS2 (C17 H12 N2 OS2)

Compound Name

4-(4-methoxyphenyl)-6-(2-thienyl)-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile

IUPAC name

4-(4-methoxyphenyl)-2-sulfanylidene-6-(thiophen-2-yl)-12-dihydropyridine-3-carbonitrile

SMILES

COc(cc1)ccc1C(C=C(c1cccs1)NC1=S)=C1C#N

InChI

InChI=1S/C17H12N2OS2/c1-20-12-6-4-11(5-7-12)13-9-15(16-3-2-8-22-16)19-17(21)14(13)10-18/h2-9H,1H3,(H,19,21)

InChI Key

JYDSLBOPRIDHBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01098967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.236

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-4.34

Polar Surface Area

37.466

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

5350-0347 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5350-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5350-0347?
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What is the minimum amount of 5350-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5350-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5350-0347
  • 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 5350-0347 available by request