F798-0296 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide

F798-0296 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
F798-0296 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0296
N~1~-(3-chloro-4-fluorophenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]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

F798-0296

Molecular Formula

C19H17ClFN5O2S2 (C19 H17 ClFN5 O2 S2)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{[8-(2-methylpropyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]sulfanyl}acetamide

SMILES

CC(C)CN(c(n1-c2c3scc2)nnc1SCC(Nc(cc1)cc(Cl)c1F)=O)C3=O

InChI

InChI=1S/C19H17ClFN5O2S2/c1-10(2)8-25-17(28)16-14(5-6-29-16)26-18(25)23-24-19(26)30-9-15(27)22-11-3-4-13(21)12(20)7-11/h3-7,10H,8-9H2,1-2H3,(H,22,27)

InChI Key

HRPSYTXHOSIGNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.50

Polar Surface Area

63.751

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F798-0296 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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
  • 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 F798-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0296?
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What is the minimum amount of F798-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0296
  • 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 F798-0296 available by request