F798-0300 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide

F798-0300 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
F798-0300 Screening compound: N~1~-(2,5-dimethylphenyl)-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 F798-0300
N~1~-(2,5-dimethylphenyl)-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

F798-0300

Molecular Formula

C21H23N5O2S2 (C21 H23 N5 O2 S2)

Compound Name

N~1~-(2,5-dimethylphenyl)-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-(25-dimethylphenyl)-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(Nc1c(C)ccc(C)c1)=O)C3=O

InChI

InChI=1S/C21H23N5O2S2/c1-12(2)10-25-19(28)18-16(7-8-29-18)26-20(25)23-24-21(26)30-11-17(27)22-15-9-13(3)5-6-14(15)4/h5-9,12H,10-11H2,1-4H3,(H,22,27)

InChI Key

CXOVJKRRFPCKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

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

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-3.87

Polar Surface Area

63.053

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F798-0300 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 F798-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0300?
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What is the minimum amount of F798-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0300
  • 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 F798-0300 available by request