E744-0229 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-chlorophenyl)acetamide

E744-0229 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-chlorophenyl)acetamide
E744-0229 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-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E744-0229
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-chlorophenyl)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

E744-0229

Molecular Formula

C19H14ClN7O4 (C19 H14 ClN7 O4)

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-chlorophenyl)acetamide

IUPAC name

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

SMILES

Nc1c(-c2nc(-c(cc3)cc4c3OCO4)no2)nnn1CC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H14ClN7O4/c20-11-2-4-12(5-3-11)22-15(28)8-27-17(21)16(24-26-27)19-23-18(25-31-19)10-1-6-13-14(7-10)30-9-29-13/h1-7H,8-9,21H2,(H,22,28)

InChI Key

ZBWQUGIGGWPLRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.62

Polar Surface Area

117.867

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E744-0229 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 E744-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E744-0229?
Check Price and Availability of E744-0229, 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 E744-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E744-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E744-0229
  • 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 E744-0229 available by request