2130-0022 Screening compound: N-{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl}acetamide

2130-0022 Screening compound: N-{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl}acetamide
2130-0022 Screening compound: N-{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0022
N-{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl}acetamide

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

2130-0022

Molecular Formula

C20H17N9O3 (C20 H17 N9 O3)

Compound Name

N-{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl}acetamide

IUPAC name

N-{4-[(E)-({[1-(4-amino-125-oxadiazol-3-yl)-5-phenyl-1H-123-triazol-4-yl]formamido}imino)methyl]phenyl}acetamide

SMILES

CC(Nc1ccc(/C=N/NC(c2c(-c3ccccc3)n(-c3nonc3N)nn2)=O)cc1)=O

InChI

InChI=1S/C20H17N9O3/c1-12(30)23-15-9-7-13(8-10-15)11-22-25-20(31)16-17(14-5-3-2-4-6-14)29(28-24-16)19-18(21)26-32-27-19/h2-11H,1H3,(H2,21,26)(H,23,30)(H,25,31)

InChI Key

TZVQIXXWHYINEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.754

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-2.19

Polar Surface Area

140.665

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

2130-0022 in Drug Discovery

Included in Screening Libraries

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 2130-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2130-0022?
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What is the minimum amount of 2130-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0022
  • 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 2130-0022 available by request