8020-1268 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-1268 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-1268 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1268
3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)-[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

8020-1268

Molecular Formula

C16H8BrFN4O2S (C16 H8 BrFN4 O2 S)

Compound Name

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

IUPAC name

3-(2H-13-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Fc(ccc(-c(s1)nn2c1nnc2-c(cc1)cc2c1OCO2)c1)c1Br

InChI

InChI=1S/C16H8BrFN4O2S/c17-10-5-9(1-3-11(10)18)15-21-22-14(19-20-16(22)25-15)8-2-4-12-13(6-8)24-7-23-12/h1-6H,7H2

InChI Key

FVHWPZYCWUDLEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.23

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

4.471

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.54

Polar Surface Area

50.837

Acid Dissociation Constant (pKa)

37.89

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8020-1268 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1268?
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What is the minimum amount of 8020-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1268
  • 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 8020-1268 available by request