F847-0053 Screening compound: 3-methyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

F847-0053 Screening compound: 3-methyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
F847-0053 Screening compound: 3-methyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F847-0053
3-methyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-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

F847-0053

Molecular Formula

C24H21N3O2S2 (C24 H21 N3 O2 S2)

Compound Name

3-methyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-methyl-2-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-7-phenyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CN(C1=O)C(SCC(N(CCC2)c3c2cccc3)=O)=Nc2c1scc2-c1ccccc1

InChI

InChI=1S/C24H21N3O2S2/c1-26-23(29)22-21(18(14-30-22)16-8-3-2-4-9-16)25-24(26)31-15-20(28)27-13-7-11-17-10-5-6-12-19(17)27/h2-6,8-10,12,14H,7,11,13,15H2,1H3

InChI Key

NYSIFKZCDAADNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.38

Polar Surface Area

39.360

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F847-0053 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F847-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F847-0053?
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What is the minimum amount of F847-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F847-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F847-0053
  • 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 F847-0053 available by request