8020-3102 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2,3-thiadiazole

8020-3102 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2,3-thiadiazole
8020-3102 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2,3-thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3102
4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2,3-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

8020-3102

Molecular Formula

C13H10N6O2S2 (C13 H10 N6 O2 S2)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2,3-thiadiazole

IUPAC name

4-[3-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-123-thiadiazole

SMILES

COc(ccc(-c1nnc2sc(-c3csnn3)nn12)c1)c1OC

InChI

InChI=1S/C13H10N6O2S2/c1-20-9-4-3-7(5-10(9)21-2)11-15-16-13-19(11)17-12(23-13)8-6-22-18-14-8/h3-6H,1-2H3

InChI Key

JWEZTEUYQLAZLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13758227

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.32

Polar Surface Area

70.588

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8020-3102 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3102?
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What is the minimum amount of 8020-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3102
  • 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 8020-3102 available by request