1452-4842 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-methoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

1452-4842 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-methoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
1452-4842 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-methoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1452-4842
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-methoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

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

1452-4842

Molecular Formula

C21H20N8O4 (C21 H20 N8 O4)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-methoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-methoxyphenyl)methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

CCOc(cc(/C=N/NC(c1c(-c2ccccc2)n(-c2nonc2N)nn1)=O)cc1)c1OC

InChI

InChI=1S/C21H20N8O4/c1-3-32-16-11-13(9-10-15(16)31-2)12-23-25-21(30)17-18(14-7-5-4-6-8-14)29(28-24-17)20-19(22)26-33-27-20/h4-12H,3H2,1-2H3,(H2,22,26)(H,25,30)

InChI Key

WVLZHGLRTSNWEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-2.94

Polar Surface Area

132.243

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1452-4842 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1452-4842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1452-4842?
Check Price and Availability of 1452-4842, 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 1452-4842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1452-4842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1452-4842
  • 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 1452-4842 available by request