8020-3594 Screening compound: 6-(4-methoxybenzyl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-3594 Screening compound: 6-(4-methoxybenzyl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-3594 Screening compound: 6-(4-methoxybenzyl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3594
6-(4-methoxybenzyl)-3-(3-thienyl)[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

8020-3594

Molecular Formula

C15H12N4OS2 (C15 H12 N4 OS2)

Compound Name

6-(4-methoxybenzyl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

n/a

SMILES

COc1ccc(Cc(s2)nn3c2nnc3-c2cscc2)cc1

InChI

InChI=1S/C15H12N4OS2/c1-20-12-4-2-10(3-5-12)8-13-18-19-14(11-6-7-21-9-11)16-17-15(19)22-13/h2-7,9H,8H2,1H3

InChI Key

NHGSTKUBENMMHW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-3.22

Polar Surface Area

42.779

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8020-3594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3594?
Check Price and Availability of 8020-3594, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-3594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3594
  • 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 8020-3594 available by request