1453-5061 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide

1453-5061 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
1453-5061 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1453-5061
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-(3-nitrophenyl)-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

1453-5061

Molecular Formula

C18H13N9O5 (C18 H13 N9 O5)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c(cccc2)c2O)=O)c1-c1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C18H13N9O5/c19-16-17(24-32-23-16)26-15(10-5-3-6-12(8-10)27(30)31)14(21-25-26)18(29)22-20-9-11-4-1-2-7-13(11)28/h1-9,28H,(H2,19,23)(H,22,29)

InChI Key

ZXVMHFDNMYRMTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.33

Polar Surface Area

167.332

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1453-5061 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1453-5061
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Delivery formats for 1453-5061
  • 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 1453-5061 available by request