F798-0308 Screening compound: 2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-phenylpropyl)acetamide

F798-0308 Screening compound: 2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-phenylpropyl)acetamide
F798-0308 Screening compound: 2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0308
2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-(3-phenylpropyl)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

F798-0308

Molecular Formula

C22H25N5O2S2 (C22 H25 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(c(n1-c2c3scc2)nnc1SCC(NCCCc1ccccc1)=O)C3=O

InChI

InChI=1S/C22H25N5O2S2/c1-15(2)13-26-20(29)19-17(10-12-30-19)27-21(26)24-25-22(27)31-14-18(28)23-11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12,15H,6,9,11,13-14H2,1-2H3,(H,23,28)

InChI Key

AXIZAHSUUTWQFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.17

Polar Surface Area

64.915

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F798-0308 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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 F798-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0308?
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What is the minimum amount of F798-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0308
  • 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 F798-0308 available by request