6011-0839 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

6011-0839 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
6011-0839 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0839
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)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

6011-0839

Molecular Formula

C19H22BrN9O3 (C19 H22 BrN9 O3)

Compound Name

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

SMILES

CC1CCN(Cc2c(C(N/N=C/c(cc(cc3)Br)c3O)=O)nnn2-c2nonc2N)CC1

InChI

InChI=1S/C19H22BrN9O3/c1-11-4-6-28(7-5-11)10-14-16(23-27-29(14)18-17(21)25-32-26-18)19(31)24-22-9-12-8-13(20)2-3-15(12)30/h2-3,8-9,11,30H,4-7,10H2,1H3,(H2,21,25)(H,24,31)

InChI Key

HVORMKASIWAKGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03324650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-3.11

Polar Surface Area

138.436

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

6011-0839 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6011-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0839?
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What is the minimum amount of 6011-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0839
  • 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 6011-0839 available by request