8001-8064 Screening compound: 6-methyl-4-(phenylsulfanyl)furo[3,4-c]pyridin-3(1H)-one

8001-8064 Screening compound: 6-methyl-4-(phenylsulfanyl)furo[3,4-c]pyridin-3(1H)-one
8001-8064 Screening compound: 6-methyl-4-(phenylsulfanyl)furo[3,4-c]pyridin-3(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8064
6-methyl-4-(phenylsulfanyl)furo[3,4-c]pyridin-3(1H)-one

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

8001-8064

Molecular Formula

C14H11NO2S (C14 H11 NO2 S)

Compound Name

6-methyl-4-(phenylsulfanyl)furo[3,4-c]pyridin-3(1H)-one

IUPAC name

6-methyl-4-(phenylsulfanyl)-1H3H-furo[34-c]pyridin-3-one

SMILES

Cc1cc(COC2=O)c2c(Sc2ccccc2)n1

InChI

InChI=1S/C14H11NO2S/c1-9-7-10-8-17-14(16)12(10)13(15-9)18-11-5-3-2-4-6-11/h2-7H,8H2,1H3

InChI Key

LLVOYCYUTFTANQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-3.07

Polar Surface Area

31.093

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8001-8064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8001-8064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8064?
Check Price and Availability of 8001-8064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8001-8064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8064
  • 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 8001-8064 available by request