8020-5906 Screening compound: 3-(4-bromo-2-fluorophenyl)-6-(4-methyl-1,2,3-thiadiazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-5906 Screening compound: 3-(4-bromo-2-fluorophenyl)-6-(4-methyl-1,2,3-thiadiazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-5906 Screening compound: 3-(4-bromo-2-fluorophenyl)-6-(4-methyl-1,2,3-thiadiazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5906
3-(4-bromo-2-fluorophenyl)-6-(4-methyl-1,2,3-thiadiazol-5-yl)[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

8020-5906

Molecular Formula

C12H6BrFN6S2 (C12 H6 BrFN6 S2)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1c(-c(s2)nn3c2nnc3-c(ccc(Br)c2)c2F)snn1

InChI

InChI=1S/C12H6BrFN6S2/c1-5-9(22-19-15-5)11-18-20-10(16-17-12(20)21-11)7-3-2-6(13)4-8(7)14/h2-4H,1H3

InChI Key

LJSBDNKEEKSFKP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.25

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

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.82

Polar Surface Area

56.165

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8020-5906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5906?
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What is the minimum amount of 8020-5906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5906
  • 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 8020-5906 available by request