E595-0522 Screening compound: 1-(2,4-dimethylphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0522 Screening compound: 1-(2,4-dimethylphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0522 Screening compound: 1-(2,4-dimethylphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0522
1-(2,4-dimethylphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

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

E595-0522

Molecular Formula

C20H20N6O2 (C20 H20 N6 O2)

Compound Name

1-(2,4-dimethylphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

IUPAC name

1-(24-dimethylphenyl)-4-[3-(4-ethoxyphenyl)-124-oxadiazol-5-yl]-1H-123-triazol-5-amine

SMILES

CCOc(cc1)ccc1-c1noc(-c2c(N)n(-c3c(C)cc(C)cc3)nn2)n1

InChI

InChI=1S/C20H20N6O2/c1-4-27-15-8-6-14(7-9-15)19-22-20(28-24-19)17-18(21)26(25-23-17)16-10-5-12(2)11-13(16)3/h5-11H,4,21H2,1-3H3

InChI Key

GTDVFGLGGBNEDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.530

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.44

Polar Surface Area

84.561

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E595-0522 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E595-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0522?
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What is the minimum amount of E595-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0522
  • 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 E595-0522 available by request