F798-0542 Screening compound: 2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-(3-phenylpropyl)acetamide

F798-0542 Screening compound: 2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-(3-phenylpropyl)acetamide
F798-0542 Screening compound: 2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0542
2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N~1~-(3-phenylpropyl)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

F798-0542

Molecular Formula

C23H21N5O2S3 (C23 H21 N5 O2 S3)

Compound Name

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

IUPAC name

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)-N-(3-phenylpropyl)acetamide

SMILES

O=C(CSc(n1-c2c3scc2)nnc1N(Cc1cccs1)C3=O)NCCCc1ccccc1

InChI

InChI=1S/C23H21N5O2S3/c29-19(24-11-4-8-16-6-2-1-3-7-16)15-33-23-26-25-22-27(14-17-9-5-12-31-17)21(30)20-18(28(22)23)10-13-32-20/h1-3,5-7,9-10,12-13H,4,8,11,14-15H2,(H,24,29)

InChI Key

PIHLCSZCKCTJPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.22

Polar Surface Area

65.662

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F798-0542 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F798-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0542?
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What is the minimum amount of F798-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0542
  • 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 F798-0542 available by request