8015-5093 Screening compound: 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile

8015-5093 Screening compound: 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
8015-5093 Screening compound: 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5093
4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-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

8015-5093

Molecular Formula

C17H14N2O2S2 (C17 H14 N2 O2 S2)

Compound Name

4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile

IUPAC name

4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-oxo-6-(thiophen-2-yl)-12-dihydropyridine-3-carbonitrile

SMILES

CCSc1cc(C(C=C(c2cccs2)NC2=O)=C2C#N)c(C)o1

InChI

InChI=1S/C17H14N2O2S2/c1-3-22-16-8-11(10(2)21-16)12-7-14(15-5-4-6-23-15)19-17(20)13(12)9-18/h4-8H,3H2,1-2H3,(H,19,20)

InChI Key

CECCLQJZURDEHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03883584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

2.905

Water Solubility, LogSw

-3.90

Polar Surface Area

51.550

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8015-5093 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8015-5093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5093?
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What is the minimum amount of 8015-5093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5093
  • 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 8015-5093 available by request