2064-1380 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]-4-(4-nitrophenyl)-1H-1,2,3-triazole-5-carbohydrazide

2064-1380 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]-4-(4-nitrophenyl)-1H-1,2,3-triazole-5-carbohydrazide
2064-1380 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]-4-(4-nitrophenyl)-1H-1,2,3-triazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2064-1380
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]-4-(4-nitrophenyl)-1H-1,2,3-triazole-5-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

2064-1380

Molecular Formula

C17H13N9O5 (C17 H13 N9 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(/C=N/NC(c2c(-c(cc3)ccc3[N+]([O-])=O)nnn2-c2nonc2N)=O)o1

InChI

InChI=1S/C17H13N9O5/c1-9-2-7-12(30-9)8-19-21-17(27)14-13(10-3-5-11(6-4-10)26(28)29)20-24-25(14)16-15(18)22-31-23-16/h2-8H,1H3,(H2,18,22)(H,21,27)

InChI Key

DFRWKOHPTGHCCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-3.05

Polar Surface Area

158.047

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2064-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2064-1380?
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What is the minimum amount of 2064-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2064-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2064-1380
  • 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 2064-1380 available by request