5223-4920 Screening compound: 3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

5223-4920 Screening compound: 3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
5223-4920 Screening compound: 3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-4920
3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-[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

5223-4920

Molecular Formula

C20H20N4OS (C20 H20 N4 OS)

Compound Name

3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)(C)c(cc1)ccc1-c1nnc2sc(-c(cc3)ccc3OC)nn12

InChI

InChI=1S/C20H20N4OS/c1-20(2,3)15-9-5-13(6-10-15)17-21-22-19-24(17)23-18(26-19)14-7-11-16(25-4)12-8-14/h5-12H,1-4H3

InChI Key

RMJIQQBZJZQWTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02046308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

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

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.59

Polar Surface Area

41.265

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5223-4920 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5223-4920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-4920?
Check Price and Availability of 5223-4920, 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 5223-4920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-4920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-4920
  • 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 5223-4920 available by request