F798-0554 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

F798-0554 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
F798-0554 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-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 F798-0554
N~1~-(2-methoxy-5-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-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

F798-0554

Molecular Formula

C22H19N5O3S3 (C22 H19 N5 O3 S3)

Compound Name

N~1~-(2-methoxy-5-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-({7-oxo-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}sulfanyl)acetamide

SMILES

Cc(cc1)cc(NC(CSc(n2-c3c4scc3)nnc2N(Cc2cccs2)C4=O)=O)c1OC

InChI

InChI=1S/C22H19N5O3S3/c1-13-5-6-17(30-2)15(10-13)23-18(28)12-33-22-25-24-21-26(11-14-4-3-8-31-14)20(29)19-16(27(21)22)7-9-32-19/h3-10H,11-12H2,1-2H3,(H,23,28)

InChI Key

ZAMFNNNBJBBZSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.82

Polar Surface Area

71.431

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F798-0554 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F798-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0554?
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What is the minimum amount of F798-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0554
  • 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 F798-0554 available by request