F798-0556 Screening compound: 1-({2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}sulfanyl)-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F798-0556 Screening compound: 1-({2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}sulfanyl)-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F798-0556 Screening compound: 1-({2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}sulfanyl)-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0556
1-({2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}sulfanyl)-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

F798-0556

Molecular Formula

C23H19N5O2S3 (C23 H19 N5 O2 S3)

Compound Name

1-({2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}sulfanyl)-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-{[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

O=C(CSc(n1-c2c3scc2)nnc1N(Cc1cccs1)C3=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H19N5O2S3/c29-19(26-9-7-15-4-1-2-5-16(15)12-26)14-33-23-25-24-22-27(13-17-6-3-10-31-17)21(30)20-18(28(22)23)8-11-32-20/h1-6,8,10-11H,7,9,12-14H2

InChI Key

YMSNPFBJRKNGIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.984

Distribution Coefficient, logD

3.984

Water Solubility, LogSw

-4.05

Polar Surface Area

57.403

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F798-0556 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F798-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0556?
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What is the minimum amount of F798-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0556
  • 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 F798-0556 available by request