8007-3615 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

8007-3615 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
8007-3615 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3615
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-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

8007-3615

Molecular Formula

C17H14N8O2S (C17 H14 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=N/NC(c2c(-c3ccccc3)n(-c3nonc3N)nn2)=O)scc1

InChI

InChI=1S/C17H14N8O2S/c1-10-7-8-28-12(10)9-19-21-17(26)13-14(11-5-3-2-4-6-11)25(24-20-13)16-15(18)22-27-23-16/h2-9H,1H3,(H2,18,22)(H,21,26)

InChI Key

KLZUBYMPZUJEOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

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

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.26

Polar Surface Area

118.421

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8007-3615 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-3615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3615?
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What is the minimum amount of 8007-3615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3615
  • 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 8007-3615 available by request