8006-8383 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide

8006-8383 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide
8006-8383 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8383
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]-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

8006-8383

Molecular Formula

C14H14N8O2S (C14 H14 N8 O2 S)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-methyl-N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

Cc1c(C(N/N=C/c(cc2)ccc2SC)=O)nnn1-c1nonc1N

InChI

InChI=1S/C14H14N8O2S/c1-8-11(17-21-22(8)13-12(15)19-24-20-13)14(23)18-16-7-9-3-5-10(25-2)6-4-9/h3-7H,1-2H3,(H2,15,19)(H,18,23)

InChI Key

AHLPLEORGIQPOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.55

Polar Surface Area

118.645

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8006-8383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8383?
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What is the minimum amount of 8006-8383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8383
  • 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 8006-8383 available by request