8006-9423 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

8006-9423 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
8006-9423 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9423
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-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

8006-9423

Molecular Formula

C17H22N10O2 (C17 H22 N10 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CCN(CC)Cc1c(C(N/N=C(\C)/c2ccncc2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C17H22N10O2/c1-4-26(5-2)10-13-14(21-25-27(13)16-15(18)23-29-24-16)17(28)22-20-11(3)12-6-8-19-9-7-12/h6-9H,4-5,10H2,1-3H3,(H2,18,23)(H,22,28)

InChI Key

QCZRIKQRGTVBLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.581

Distribution Coefficient, logD

-0.103

Water Solubility, LogSw

-1.12

Polar Surface Area

130.304

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8006-9423 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 8006-9423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9423?
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What is the minimum amount of 8006-9423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9423
  • 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 8006-9423 available by request