8020-0466 Screening compound: 7-(methylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine

8020-0466 Screening compound: 7-(methylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine
8020-0466 Screening compound: 7-(methylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0466
7-(methylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine

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

8020-0466

Molecular Formula

C13H12N6S2 (C13 H12 N6 S2)

Compound Name

7-(methylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine

IUPAC name

3-(methylsulfanyl)-19-thia-2457810-hexaazapentacyclo[10.7.0.0^{26}.0^{711}.0^{1318}]nonadeca-1(12)3581013(18)-hexaene

SMILES

CSc(n12)nnc1n1ncnc1c1c2sc2c1CCCC2

InChI

InChI=1S/C13H12N6S2/c1-20-13-17-16-12-18(13)11-9(10-14-6-15-19(10)12)7-4-2-3-5-8(7)21-11/h6H,2-5H2,1H3

InChI Key

OXLDKALGZGUXCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05683386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-2.62

Polar Surface Area

46.233

Acid Dissociation Constant (pKa)

25.55

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8020-0466 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8020-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0466?
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What is the minimum amount of 8020-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0466
  • 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 8020-0466 available by request