8006-4933 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

8006-4933 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
8006-4933 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4933
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)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

8006-4933

Molecular Formula

C20H18N8O3 (C20 H18 N8 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(/C=N/NC(c2c(-c3ccccc3)n(-c3nonc3N)nn2)=O)cc1

InChI

InChI=1S/C20H18N8O3/c1-2-30-15-10-8-13(9-11-15)12-22-24-20(29)16-17(14-6-4-3-5-7-14)28(27-23-16)19-18(21)25-31-26-19/h3-12H,2H2,1H3,(H2,21,25)(H,24,29)

InChI Key

YYFWWRUINQJRMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-3.22

Polar Surface Area

124.526

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8006-4933 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 8006-4933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4933?
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What is the minimum amount of 8006-4933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4933
  • 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 8006-4933 available by request