6190-0032 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(2H-1,3-benzodioxol-5-yl)ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

6190-0032 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(2H-1,3-benzodioxol-5-yl)ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
6190-0032 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(2H-1,3-benzodioxol-5-yl)ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6190-0032
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(2H-1,3-benzodioxol-5-yl)ethylidene]-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

6190-0032

Molecular Formula

C20H16N8O4 (C20 H16 N8 O4)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(2H-1,3-benzodioxol-5-yl)ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(1Z)-1-(2H-13-benzodioxol-5-yl)ethylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

C/C(/c(cc1)cc2c1OCO2)=N/NC(c1c(-c2ccccc2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C20H16N8O4/c1-11(13-7-8-14-15(9-13)31-10-30-14)22-24-20(29)16-17(12-5-3-2-4-6-12)28(27-23-16)19-18(21)25-32-26-19/h2-9H,10H2,1H3,(H2,21,25)(H,24,29)

InChI Key

KRYRNUXIDHUEKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.32

Polar Surface Area

133.806

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6190-0032 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 6190-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6190-0032?
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What is the minimum amount of 6190-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6190-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6190-0032
  • 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 6190-0032 available by request