2130-0025 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0025 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0025 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0025
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-oxo-4H-chromen-3-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

2130-0025

Molecular Formula

C21H14N8O4 (C21 H14 N8 O4)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-n1nnc(C(N/N=C/C2=COc(cccc3)c3C2=O)=O)c1-c1ccccc1

InChI

InChI=1S/C21H14N8O4/c22-19-20(27-33-26-19)29-17(12-6-2-1-3-7-12)16(24-28-29)21(31)25-23-10-13-11-32-15-9-5-4-8-14(15)18(13)30/h1-11H,(H2,22,26)(H,25,31)

InChI Key

KDUSTSPFQCDUQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-3.13

Polar Surface Area

138.296

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2130-0025 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2130-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2130-0025?
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What is the minimum amount of 2130-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0025
  • 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 2130-0025 available by request