1452-4860 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

1452-4860 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
1452-4860 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1452-4860
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]-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

1452-4860

Molecular Formula

C22H20N8O3 (C22 H20 N8 O3)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(1Z)-6-methoxy-1234-tetrahydronaphthalen-1-ylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

COc(cc1)cc(CCC2)c1/C2=N\NC(c1c(-c2ccccc2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C22H20N8O3/c1-32-15-10-11-16-14(12-15)8-5-9-17(16)24-26-22(31)18-19(13-6-3-2-4-7-13)30(29-25-18)21-20(23)27-33-28-21/h2-4,6-7,10-12H,5,8-9H2,1H3,(H2,23,27)(H,26,31)

InChI Key

PYUMCGWSXNQGDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.77

Polar Surface Area

124.169

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 1452-4860 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 1452-4860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1452-4860
  • 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 1452-4860 available by request