8019-8464 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(2,5-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8019-8464 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(2,5-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8019-8464 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(2,5-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8464
6-(2H-1,3-benzodioxol-5-yl)-3-(2,5-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

8019-8464

Molecular Formula

C16H8F2N4O2S (C16 H8 F2 N4 O2 S)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-3-(2,5-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(2H-13-benzodioxol-5-yl)-3-(25-difluorophenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Fc(cc1)cc(-c2nnc3sc(-c(cc4)cc5c4OCO5)nn23)c1F

InChI

InChI=1S/C16H8F2N4O2S/c17-9-2-3-11(18)10(6-9)14-19-20-16-22(14)21-15(25-16)8-1-4-12-13(5-8)24-7-23-12/h1-6H,7H2

InChI Key

MWKBWIMOIJYJOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09793776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.23

Polar Surface Area

50.837

Acid Dissociation Constant (pKa)

37.89

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8019-8464 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8464?
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What is the minimum amount of 8019-8464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8464
  • 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 8019-8464 available by request