F798-0592 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

F798-0592 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
F798-0592 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-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 F798-0592
N~1~-(3-chloro-4-fluorophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-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

F798-0592

Molecular Formula

C20H17ClFN5O3S2 (C20 H17 ClFN5 O3 S2)

Compound Name

N~1~-(3-chloro-4-fluorophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-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-({7-oxo-8-[(oxolan-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}sulfanyl)acetamide

SMILES

O=C(CSc(n1-c2c3scc2)nnc1N(CC1OCCC1)C3=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C20H17ClFN5O3S2/c21-13-8-11(3-4-14(13)22)23-16(28)10-32-20-25-24-19-26(9-12-2-1-6-30-12)18(29)17-15(27(19)20)5-7-31-17/h3-5,7-8,12H,1-2,6,9-10H2,(H,23,28)/t12-/m1/s1

InChI Key

HNVTVBRWBQWTCA-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27191581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.63

Polar Surface Area

72.134

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

F798-0592 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F798-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0592?
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What is the minimum amount of F798-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0592
  • 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 F798-0592 available by request