F798-0253 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide

F798-0253 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
F798-0253 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-isopentyl-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 F798-0253
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-isopentyl-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

F798-0253

Molecular Formula

C22H23N5O4S2 (C22 H23 N5 O4 S2)

Compound Name

N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-isopentyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[8-(3-methylbutyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]sulfanyl}acetamide

SMILES

CC(C)CCN(c(n1-c2c3scc2)nnc1SCC(Nc(cc1)cc2c1OCCO2)=O)C3=O

InChI

InChI=1S/C22H23N5O4S2/c1-13(2)5-7-26-20(29)19-15(6-10-32-19)27-21(26)24-25-22(27)33-12-18(28)23-14-3-4-16-17(11-14)31-9-8-30-16/h3-4,6,10-11,13H,5,7-9,12H2,1-2H3,(H,23,28)

InChI Key

ROTGYKAYWAPTRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191316

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-3.46

Polar Surface Area

79.553

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F798-0253 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F798-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0253?
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What is the minimum amount of F798-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0253
  • 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 F798-0253 available by request