8019-5899 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

8019-5899 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8019-5899 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5899
2-(3,4-dimethoxyphenyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[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

8019-5899

Molecular Formula

C20H20N4O2S (C20 H20 N4 O2 S)

Compound Name

2-(3,4-dimethoxyphenyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-(34-dimethoxyphenyl)-7-methyl-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

Cc1nc(sc2c3CCCC2)c3c2nc(-c(cc3)cc(OC)c3OC)nn12

InChI

InChI=1S/C20H20N4O2S/c1-11-21-20-17(13-6-4-5-7-16(13)27-20)19-22-18(23-24(11)19)12-8-9-14(25-2)15(10-12)26-3/h8-10H,4-7H2,1-3H3

InChI Key

KWEMJTXATUSSOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06604371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.59

Polar Surface Area

47.298

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8019-5899 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-5899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5899?
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What is the minimum amount of 8019-5899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5899
  • 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 8019-5899 available by request