6011-0830 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

6011-0830 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
6011-0830 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0830
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-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

6011-0830

Molecular Formula

C21H27N9O3 (C21 H27 N9 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(/C=N/NC(c2c(CN3CCC(C)CC3)n(-c3nonc3N)nn2)=O)cccc1

InChI

InChI=1S/C21H27N9O3/c1-3-32-17-7-5-4-6-15(17)12-23-25-21(31)18-16(13-29-10-8-14(2)9-11-29)30(28-24-18)20-19(22)26-33-27-20/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,26)(H,25,31)

InChI Key

YHOJEDMEPQJUIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03324642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

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

2.886

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-3.27

Polar Surface Area

129.098

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

6011-0830 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 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 6011-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0830?
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What is the minimum amount of 6011-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0830
  • 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 6011-0830 available by request