8020-0666 Screening compound: ethyl 2-(tert-butyl)-8-cyano-1-(4-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

8020-0666 Screening compound: ethyl 2-(tert-butyl)-8-cyano-1-(4-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
8020-0666 Screening compound: ethyl 2-(tert-butyl)-8-cyano-1-(4-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0666
ethyl 2-(tert-butyl)-8-cyano-1-(4-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

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

8020-0666

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

ethyl 2-(tert-butyl)-8-cyano-1-(4-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

IUPAC name

ethyl 2-tert-butyl-8-cyano-1-(4-methoxyphenyl)-5-oxo-1H5H-[124]triazolo[15-a]pyridine-6-carboxylate

SMILES

CCOC(C(C1=O)=CC(C#N)=C2N1N=C(C(C)(C)C)N2c(cc1)ccc1OC)=O

InChI

InChI=1S/C21H22N4O4/c1-6-29-19(27)16-11-13(12-22)17-24(14-7-9-15(28-5)10-8-14)20(21(2,3)4)23-25(17)18(16)26/h7-11H,6H2,1-5H3

InChI Key

ZGFXKXUKUCLIGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-3.14

Polar Surface Area

76.604

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8020-0666 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0666?
Check Price and Availability of 8020-0666, 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 8020-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0666
  • 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 8020-0666 available by request