F798-0147 Screening compound: 2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide

F798-0147 Screening compound: 2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide
F798-0147 Screening compound: 2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0147
2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N~1~-[2-(trifluoromethyl)phenyl]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

F798-0147

Molecular Formula

C19H16F3N5O2S2 (C19 H16 F3 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(c(n1-c2c3scc2)nnc1SCC(Nc1c(C(F)(F)F)cccc1)=O)C3=O

InChI

InChI=1S/C19H16F3N5O2S2/c1-2-8-26-16(29)15-13(7-9-30-15)27-17(26)24-25-18(27)31-10-14(28)23-12-6-4-3-5-11(12)19(20,21)22/h3-7,9H,2,8,10H2,1H3,(H,23,28)

InChI Key

KSELRSMLZIRINE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.5

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

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-3.93

Polar Surface Area

63.032

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F798-0147 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with F798-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0147?
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What is the minimum amount of F798-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0147
  • 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 F798-0147 available by request