F401-0146 Screening compound: 4-methyl-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0146 Screening compound: 4-methyl-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0146 Screening compound: 4-methyl-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]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 F401-0146
4-methyl-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]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

F401-0146

Molecular Formula

C19H17N5O2S2 (C19 H17 N5 O2 S2)

Compound Name

4-methyl-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

8-methyl-12-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CN(c(n1-c2c3scc2)nnc1SCc(cc1)ccc1N(CCC1)C1=O)C3=O

InChI

InChI=1S/C19H17N5O2S2/c1-22-17(26)16-14(8-10-27-16)24-18(22)20-21-19(24)28-11-12-4-6-13(7-5-12)23-9-2-3-15(23)25/h4-8,10H,2-3,9,11H2,1H3

InChI Key

CWGMBMXGLYFBFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-2.59

Polar Surface Area

57.184

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F401-0146 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F401-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0146?
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What is the minimum amount of F401-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0146
  • 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 F401-0146 available by request