E744-0022 Screening compound: 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide

E744-0022 Screening compound: 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
E744-0022 Screening compound: 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E744-0022
2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-N-(3-chloro-2-methylphenyl)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

E744-0022

Molecular Formula

C19H16ClN7O2 (C19 H16 ClN7 O2)

Compound Name

2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide

IUPAC name

2-[5-amino-4-(3-phenyl-124-oxadiazol-5-yl)-1H-123-triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide

SMILES

Cc(c(NC(Cn1nnc(-c2nc(-c3ccccc3)no2)c1N)=O)ccc1)c1Cl

InChI

InChI=1S/C19H16ClN7O2/c1-11-13(20)8-5-9-14(11)22-15(28)10-27-17(21)16(24-26-27)19-23-18(25-29-19)12-6-3-2-4-7-12/h2-9H,10,21H2,1H3,(H,22,28)

InChI Key

JLMQMULXVITNME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.57

Polar Surface Area

100.054

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E744-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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 E744-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E744-0022?
Check Price and Availability of E744-0022, 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 E744-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E744-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E744-0022
  • 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 E744-0022 available by request