F798-0472 Screening compound: 2-{[4-(4-fluorobenzyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide

F798-0472 Screening compound: 2-{[4-(4-fluorobenzyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide
F798-0472 Screening compound: 2-{[4-(4-fluorobenzyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0472
2-{[4-(4-fluorobenzyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide

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

F798-0472

Molecular Formula

C22H16FN5O2S2 (C22 H16 FN5 O2 S2)

Compound Name

2-{[4-(4-fluorobenzyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-phenylacetamide

IUPAC name

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

SMILES

O=C(CSc(n1-c2c3scc2)nnc1N(Cc(cc1)ccc1F)C3=O)Nc1ccccc1

InChI

InChI=1S/C22H16FN5O2S2/c23-15-8-6-14(7-9-15)12-27-20(30)19-17(10-11-31-19)28-21(27)25-26-22(28)32-13-18(29)24-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,24,29)

InChI Key

JVVPHNWLQUDNLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

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

3.945

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.08

Polar Surface Area

63.480

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F798-0472 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 F798-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0472?
Check Price and Availability of F798-0472, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F798-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0472
  • 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 F798-0472 available by request