6011-0822 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide

6011-0822 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide
6011-0822 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0822
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-[(E)-[4-(trifluoromethyl)phenyl]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

6011-0822

Molecular Formula

C20H22F3N9O2 (C20 H22 F3 N9 O2)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(Cc2c(C(N/N=C/c3ccc(C(F)(F)F)cc3)=O)nnn2-c2nonc2N)CC1

InChI

InChI=1S/C20H22F3N9O2/c1-12-6-8-31(9-7-12)11-15-16(26-30-32(15)18-17(24)28-34-29-18)19(33)27-25-10-13-2-4-14(5-3-13)20(21,22)23/h2-5,10,12H,6-9,11H2,1H3,(H2,24,28)(H,27,33)

InChI Key

MUWODDVGZQCRRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03324561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-3.28

Polar Surface Area

121.888

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

6011-0822 in Drug Discovery

Included in Screening Libraries

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 6011-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0822?
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What is the minimum amount of 6011-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0822
  • 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 6011-0822 available by request