2066-0531 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2066-0531 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2066-0531 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2066-0531
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)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

2066-0531

Molecular Formula

C16H12N8O3 (C16 H12 N8 O3)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c2ccco2)=O)c1-c1ccccc1

InChI

InChI=1S/C16H12N8O3/c17-14-15(22-27-21-14)24-13(10-5-2-1-3-6-10)12(19-23-24)16(25)20-18-9-11-7-4-8-26-11/h1-9H,(H2,17,21)(H,20,25)

InChI Key

DDYHZRUNCFMIMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.32

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

2.133

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-2.65

Polar Surface Area

125.151

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2066-0531 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2066-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2066-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2066-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2066-0531
  • 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 2066-0531 available by request