8007-4465 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

8007-4465 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
8007-4465 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4465
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(1E)-1-(pyridin-3-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

8007-4465

Molecular Formula

C18H14N10O4 (C18 H14 N10 O4)

Compound Name

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

IUPAC name

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

SMILES

C/C(/c1cnccc1)=N\NC(c1c(-c2cccc([N+]([O-])=O)c2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C18H14N10O4/c1-10(12-5-3-7-20-9-12)21-23-18(29)14-15(11-4-2-6-13(8-11)28(30)31)27(26-22-14)17-16(19)24-32-25-17/h2-9H,1H3,(H2,19,24)(H,23,29)

InChI Key

JSYGDZLWWVVFFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.37

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

1.659

Distribution Coefficient, logD

1.658

Water Solubility, LogSw

-1.61

Polar Surface Area

159.590

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 8007-4465 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 8007-4465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4465
  • 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 8007-4465 available by request