5700-5144 Screening compound: N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

5700-5144 Screening compound: N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
5700-5144 Screening compound: N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5700-5144
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

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

5700-5144

Molecular Formula

C15H16BrN5O5 (C15 H16 BrN5 O5)

Compound Name

N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

IUPAC name

N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)propanehydrazide

SMILES

CCOc1cc(/C=N/NC(CCC(C(N2)=O)=NNC2=O)=O)cc(Br)c1O

InChI

InChI=1S/C15H16BrN5O5/c1-2-26-11-6-8(5-9(16)13(11)23)7-17-20-12(22)4-3-10-14(24)18-15(25)21-19-10/h5-7,23H,2-4H2,1H3,(H,20,22)(H2,18,21,24,25)

InChI Key

NSYCKPJLIHXXDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02978721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.000

Distribution Coefficient, logD

0.974

Water Solubility, LogSw

-2.01

Polar Surface Area

118.602

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

5700-5144 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 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 5700-5144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5700-5144?
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What is the minimum amount of 5700-5144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5700-5144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5700-5144
  • 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 5700-5144 available by request