6190-0385 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(furan-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

6190-0385 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(furan-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
6190-0385 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(furan-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6190-0385
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N'-[(E)-(furan-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

6190-0385

Molecular Formula

C12H12N8O3 (C12 H12 N8 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C(N/N=C/c2ccco2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C12H12N8O3/c1-2-8-9(12(21)16-14-6-7-4-3-5-22-7)15-19-20(8)11-10(13)17-23-18-11/h3-6H,2H2,1H3,(H2,13,17)(H,16,21)

InChI Key

XHPIFXRUPHZQSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.28

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

1.286

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-2.03

Polar Surface Area

125.904

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6190-0385 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 6190-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6190-0385?
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What is the minimum amount of 6190-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6190-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6190-0385
  • 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 6190-0385 available by request