8020-3052 Screening compound: 4-bromo-3-[3-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole

8020-3052 Screening compound: 4-bromo-3-[3-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole
8020-3052 Screening compound: 4-bromo-3-[3-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3052
4-bromo-3-[3-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole

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

8020-3052

Molecular Formula

C12H5Br2FN6S (C12 H5 Br2 FN6 S)

Compound Name

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

IUPAC name

4-bromo-3-[3-(5-bromo-2-fluorophenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-1H-pyrazole

SMILES

Fc(ccc(Br)c1)c1-c1nnc2sc(-c3n[nH]cc3Br)nn12

InChI

InChI=1S/C12H5Br2FN6S/c13-5-1-2-8(15)6(3-5)10-18-19-12-21(10)20-11(22-12)9-7(14)4-16-17-9/h1-4H,(H,16,17)

InChI Key

CTNQCXWYLNDGQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13758258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-4.02

Polar Surface Area

58.183

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-3052 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-3052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3052?
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What is the minimum amount of 8020-3052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3052
  • 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 8020-3052 available by request