E744-0238 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-ethoxyphenyl)acetamide

E744-0238 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-ethoxyphenyl)acetamide
E744-0238 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E744-0238
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-ethoxyphenyl)acetamide

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

E744-0238

Molecular Formula

C21H19N7O5 (C21 H19 N7 O5)

Compound Name

2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-{5-amino-4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1H-123-triazol-1-yl}-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(Cn1nnc(-c2nc(-c(cc3)cc4c3OCO4)no2)c1N)=O

InChI

InChI=1S/C21H19N7O5/c1-2-30-14-6-4-13(5-7-14)23-17(29)10-28-19(22)18(25-27-28)21-24-20(26-33-21)12-3-8-15-16(9-12)32-11-31-15/h3-9H,2,10-11,22H2,1H3,(H,23,29)

InChI Key

KEGCCKTWXMLSIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.37

Polar Surface Area

124.991

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E744-0238 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 E744-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E744-0238?
Check Price and Availability of E744-0238, 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 E744-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E744-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E744-0238
  • 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 E744-0238 available by request