8007-4060 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-1,2,3-triazole-4-carbohydrazide

8007-4060 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
8007-4060 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4060
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-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

8007-4060

Molecular Formula

C16H16N8O2 (C16 H16 N8 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-methyl-N'-[(1E2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-123-triazole-4-carbohydrazide

SMILES

C/C(/C=N/NC(c1c(C)n(-c2nonc2N)nn1)=O)=C\c1ccccc1

InChI

InChI=1S/C16H16N8O2/c1-10(8-12-6-4-3-5-7-12)9-18-20-16(25)13-11(2)24(23-19-13)15-14(17)21-26-22-15/h3-9H,1-2H3,(H2,17,21)(H,20,25)

InChI Key

OHNPBMOXAPLPFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.73

Polar Surface Area

118.645

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8007-4060 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8007-4060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4060?
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What is the minimum amount of 8007-4060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4060
  • 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 8007-4060 available by request