6190-0037 Screening compound: 2-{4-[(1Z)-1-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)ethyl]phenoxy}acetamide

6190-0037 Screening compound: 2-{4-[(1Z)-1-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)ethyl]phenoxy}acetamide
6190-0037 Screening compound: 2-{4-[(1Z)-1-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)ethyl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6190-0037
2-{4-[(1Z)-1-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)ethyl]phenoxy}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

6190-0037

Molecular Formula

C21H19N9O4 (C21 H19 N9 O4)

Compound Name

2-{4-[(1Z)-1-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]formamido}imino)ethyl]phenoxy}acetamide

IUPAC name

2-{4-[(1Z)-1-({[1-(4-amino-125-oxadiazol-3-yl)-5-phenyl-1H-123-triazol-4-yl]formamido}imino)ethyl]phenoxy}acetamide

SMILES

C/C(/c(cc1)ccc1OCC(N)=O)=N/NC(c1c(-c2ccccc2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C21H19N9O4/c1-12(13-7-9-15(10-8-13)33-11-16(22)31)24-26-21(32)17-18(14-5-3-2-4-6-14)30(29-25-17)20-19(23)27-34-28-20/h2-10H,11H2,1H3,(H2,22,31)(H2,23,27)(H,26,32)

InChI Key

RLSIYPCQUDBUAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.276

Distribution Coefficient, logD

1.275

Water Solubility, LogSw

-1.90

Polar Surface Area

157.577

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

6190-0037 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 6190-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6190-0037?
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What is the minimum amount of 6190-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6190-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6190-0037
  • 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 6190-0037 available by request