8019-5325 Screening compound: 6a,7,9,9a-tetrahydro-8H-8lambda~6~-thieno[3',4':5,6][1,4]thiazino[4,3,2-gh]purine-8,8-dione

8019-5325 Screening compound: 6a,7,9,9a-tetrahydro-8H-8lambda~6~-thieno[3',4':5,6][1,4]thiazino[4,3,2-gh]purine-8,8-dione
8019-5325 Screening compound: 6a,7,9,9a-tetrahydro-8H-8lambda~6~-thieno[3',4':5,6][1,4]thiazino[4,3,2-gh]purine-8,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5325
6a,7,9,9a-tetrahydro-8H-8lambda~6~-thieno[3',4':5,6][1,4]thiazino[4,3,2-gh]purine-8,8-dione

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

8019-5325

Molecular Formula

C9H8N4O2S2 (C9 H8 N4 O2 S2)

Compound Name

6a,7,9,9a-tetrahydro-8H-8lambda~6~-thieno[3',4':5,6][1,4]thiazino[4,3,2-gh]purine-8,8-dione

IUPAC name

4lambda67-dithia-191113-tetraazatetracyclo[6.6.1.0^{26}.0^{1215}]pentadeca-8(15)91113-tetraene-44-dione

SMILES

O=S(CC12)(CC2Sc2c3n1cnc3ncn2)=O

InChI

InChI=1S/C9H8N4O2S2/c14-17(15)1-5-6(2-17)16-9-7-8(10-3-11-9)12-4-13(5)7/h3-6H,1-2H2

InChI Key

FWTFLWHNCOSUFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08706615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.288

Distribution Coefficient, logD

-0.288

Water Solubility, LogSw

-1.39

Polar Surface Area

61.667

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

8019-5325 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8019-5325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5325?
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What is the minimum amount of 8019-5325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5325
  • 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 8019-5325 available by request