8019-0561 Screening compound: 3-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione

8019-0561 Screening compound: 3-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione
8019-0561 Screening compound: 3-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0561
3-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-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

8019-0561

Molecular Formula

C10H8N4O2S2 (C10 H8 N4 O2 S2)

Compound Name

3-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione

IUPAC name

3-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]-1lambda6-benzothiophene-11-dione

SMILES

Cn1nnnc1SC(c1c2cccc1)=CS2(=O)=O

InChI

InChI=1S/C10H8N4O2S2/c1-14-10(11-12-13-14)17-8-6-18(15,16)9-5-3-2-4-7(8)9/h2-6H,1H3

InChI Key

IWEJTTGZNQSLIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.792

Distribution Coefficient, logD

0.792

Water Solubility, LogSw

-2.15

Polar Surface Area

69.122

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8019-0561 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0561?
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What is the minimum amount of 8019-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0561
  • 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 8019-0561 available by request