6011-0781 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N'-[(E)-(1H-indol-3-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

6011-0781 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N'-[(E)-(1H-indol-3-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
6011-0781 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N'-[(E)-(1H-indol-3-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0781
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N'-[(E)-(1H-indol-3-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

6011-0781

Molecular Formula

C21H26N10O2 (C21 H26 N10 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)Cc1c(C(N/N=C/c2c[nH]c3c2cccc3)=O)nnn1-c1nonc1N

InChI

InChI=1S/C21H26N10O2/c1-3-9-30(10-4-2)13-17-18(25-29-31(17)20-19(22)27-33-28-20)21(32)26-24-12-14-11-23-16-8-6-5-7-15(14)16/h5-8,11-12,23H,3-4,9-10,13H2,1-2H3,(H2,22,27)(H,26,32)

InChI Key

HQWKXTOANKDROA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-3.07

Polar Surface Area

131.966

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6011-0781 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 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 6011-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0781?
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What is the minimum amount of 6011-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0781
  • 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 6011-0781 available by request