8020-1054 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-bromopyridine

8020-1054 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-bromopyridine
8020-1054 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-bromopyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1054
3-[3-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-bromopyridine

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

8020-1054

Molecular Formula

C15H8BrN5O2S (C15 H8 BrN5 O2 S)

Compound Name

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

IUPAC name

3-[3-(2H-13-benzodioxol-5-yl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-5-bromopyridine

SMILES

Brc1cncc(-c(s2)nn3c2nnc3-c(cc2)cc3c2OCO3)c1

InChI

InChI=1S/C15H8BrN5O2S/c16-10-3-9(5-17-6-10)14-20-21-13(18-19-15(21)24-14)8-1-2-11-12(4-8)23-7-22-11/h1-6H,7H2

InChI Key

ONDMUVLIPYBUGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09855411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.53

Polar Surface Area

60.445

Acid Dissociation Constant (pKa)

37.89

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8020-1054 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 8020-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1054?
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What is the minimum amount of 8020-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1054
  • 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 8020-1054 available by request