6190-0387 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

6190-0387 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
6190-0387 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6190-0387
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(3-methylthiophen-2-yl)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

6190-0387

Molecular Formula

C13H14N8O2S (C13 H14 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C(N/N=C/c2c(C)ccs2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C13H14N8O2S/c1-3-8-10(16-20-21(8)12-11(14)18-23-19-12)13(22)17-15-6-9-7(2)4-5-24-9/h4-6H,3H2,1-2H3,(H2,14,18)(H,17,22)

InChI Key

NLSIFVLQIHBLQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.37

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

2.168

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.59

Polar Surface Area

119.173

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

6190-0387 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 6190-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6190-0387?
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What is the minimum amount of 6190-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6190-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6190-0387
  • 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 6190-0387 available by request