8007-6844 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(1E)-1-(4-bromophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

8007-6844 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(1E)-1-(4-bromophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
8007-6844 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(1E)-1-(4-bromophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6844
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(1E)-1-(4-bromophenyl)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

8007-6844

Molecular Formula

C20H24BrN9O2 (C20 H24 BrN9 O2)

Compound Name

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

IUPAC name

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

SMILES

C/C(/c(cc1)ccc1Br)=N\NC(c1c(CN2CCCCCC2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C20H24BrN9O2/c1-13(14-6-8-15(21)9-7-14)23-25-20(31)17-16(12-29-10-4-2-3-5-11-29)30(28-24-17)19-18(22)26-32-27-19/h6-9H,2-5,10-12H2,1H3,(H2,22,26)(H,25,31)

InChI Key

ABILJWYPPYLYFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-3.32

Polar Surface Area

121.506

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8007-6844 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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

Structure:
  • Pool
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 8007-6844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6844?
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What is the minimum amount of 8007-6844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6844
  • 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 8007-6844 available by request