F401-0558 Screening compound: 4-(tetrahydro-2-furanylmethyl)-1-[(4-vinylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0558 Screening compound: 4-(tetrahydro-2-furanylmethyl)-1-[(4-vinylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0558 Screening compound: 4-(tetrahydro-2-furanylmethyl)-1-[(4-vinylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0558
4-(tetrahydro-2-furanylmethyl)-1-[(4-vinylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-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

F401-0558

Molecular Formula

C21H20N4O2S2 (C21 H20 N4 O2 S2)

Compound Name

4-(tetrahydro-2-furanylmethyl)-1-[(4-vinylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-{[(4-ethenylphenyl)methyl]sulfanyl}-8-[(oxolan-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

C=Cc1ccc(CSc(n2-c3c4scc3)nnc2N(CC2OCCC2)C4=O)cc1

InChI

InChI=1S/C21H20N4O2S2/c1-2-14-5-7-15(8-6-14)13-29-21-23-22-20-24(12-16-4-3-10-27-16)19(26)18-17(25(20)21)9-11-28-18/h2,5-9,11,16H,1,3-4,10,12-13H2/t16-/m1/s1

InChI Key

DOXCEQXBOIPFBI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27124380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-3.67

Polar Surface Area

48.985

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

F401-0558 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others

References: we are preparing a list of scientific research reports with F401-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0558?
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What is the minimum amount of F401-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0558
  • 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 F401-0558 available by request