2066-0526 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

2066-0526 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
2066-0526 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2066-0526
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-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

2066-0526

Molecular Formula

C17H14N8O2S (C17 H14 N8 O2 S)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-phenyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-123-triazole-4-carbohydrazide

SMILES

C/C(/c1cccs1)=N/NC(c1c(-c2ccccc2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C17H14N8O2S/c1-10(12-8-5-9-28-12)19-21-17(26)13-14(11-6-3-2-4-7-11)25(24-20-13)16-15(18)22-27-23-16/h2-9H,1H3,(H2,18,22)(H,21,26)

InChI Key

BWHGLWKBRVWJBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

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

2.750

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-3.16

Polar Surface Area

117.709

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2066-0526 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2066-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2066-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2066-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2066-0526
  • 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 2066-0526 available by request