F798-0558 Screening compound: N~1~-(4-ethoxyphenyl)-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

F798-0558 Screening compound: N~1~-(4-ethoxyphenyl)-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
F798-0558 Screening compound: N~1~-(4-ethoxyphenyl)-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 F798-0558
N~1~-(4-ethoxyphenyl)-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

F798-0558

Molecular Formula

C22H23N5O4S2 (C22 H23 N5 O4 S2)

Compound Name

N~1~-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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

CCOc(cc1)ccc1NC(CSc(n1-c2c3scc2)nnc1N(CC1OCCC1)C3=O)=O

InChI

InChI=1S/C22H23N5O4S2/c1-2-30-15-7-5-14(6-8-15)23-18(28)13-33-22-25-24-21-26(12-16-4-3-10-31-16)20(29)19-17(27(21)22)9-11-32-19/h5-9,11,16H,2-4,10,12-13H2,1H3,(H,23,28)/t16-/m1/s1

InChI Key

MIOZHWPJXCYPFK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27191553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.54

Polar Surface Area

79.258

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

F798-0558 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 F798-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0558?
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What is the minimum amount of F798-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0558
  • 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 F798-0558 available by request