3343-2781 Screening compound: 6-cyclopropyl-4-(furan-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile

3343-2781 Screening compound: 6-cyclopropyl-4-(furan-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile
3343-2781 Screening compound: 6-cyclopropyl-4-(furan-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-2781
6-cyclopropyl-4-(furan-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]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

3343-2781

Molecular Formula

C21H16N2O2S (C21 H16 N2 O2 S)

Compound Name

6-cyclopropyl-4-(furan-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile

IUPAC name

6-cyclopropyl-4-(furan-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile

SMILES

N#Cc(c(SCC(c1ccccc1)=O)nc(C1CC1)c1)c1-c1ccco1

InChI

InChI=1S/C21H16N2O2S/c22-12-17-16(20-7-4-10-25-20)11-18(14-8-9-14)23-21(17)26-13-19(24)15-5-2-1-3-6-15/h1-7,10-11,14H,8-9,13H2

InChI Key

ZJQYOXOAEZZNCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.685

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-4.82

Polar Surface Area

47.576

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3343-2781 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3343-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-2781?
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What is the minimum amount of 3343-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-2781
  • 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 3343-2781 available by request