E744-0144 Screening compound: 2-{5-amino-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2,4,6-trimethylphenyl)acetamide

E744-0144 Screening compound: 2-{5-amino-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2,4,6-trimethylphenyl)acetamide
E744-0144 Screening compound: 2-{5-amino-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E744-0144
2-{5-amino-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2,4,6-trimethylphenyl)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

E744-0144

Molecular Formula

C20H20N8O2 (C20 H20 N8 O2)

Compound Name

2-{5-amino-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{5-amino-4-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-1H-123-triazol-1-yl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(Cn1nnc(-c2nc(-c3ccncc3)no2)c1N)=O

InChI

InChI=1S/C20H20N8O2/c1-11-8-12(2)16(13(3)9-11)23-15(29)10-28-18(21)17(25-27-28)20-24-19(26-30-20)14-4-6-22-7-5-14/h4-9H,10,21H2,1-3H3,(H,23,29)

InChI Key

WKRJTOPNOWPMBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.03

Polar Surface Area

108.784

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E744-0144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E744-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E744-0144?
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What is the minimum amount of E744-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E744-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E744-0144
  • 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 E744-0144 available by request