F798-0356 Screening compound: 2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-methylphenyl)acetamide

F798-0356 Screening compound: 2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-methylphenyl)acetamide
F798-0356 Screening compound: 2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0356
2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-methylphenyl)acetamide

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

F798-0356

Molecular Formula

C20H21N5O2S2 (C20 H21 N5 O2 S2)

Compound Name

2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-methylphenyl)acetamide

IUPAC name

2-({8-butyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

CCCCN(c(n1-c2c3scc2)nnc1SCC(Nc1cc(C)ccc1)=O)C3=O

InChI

InChI=1S/C20H21N5O2S2/c1-3-4-9-24-18(27)17-15(8-10-28-17)25-19(24)22-23-20(25)29-12-16(26)21-14-7-5-6-13(2)11-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,26)

InChI Key

GQFOHNJIFNPGHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-3.99

Polar Surface Area

63.730

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F798-0356 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F798-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0356?
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What is the minimum amount of F798-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0356
  • 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 F798-0356 available by request