5408-4123 Screening compound: N'-[(Z)-[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

5408-4123 Screening compound: N'-[(Z)-[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide
5408-4123 Screening compound: N'-[(Z)-[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-4123
N'-[(Z)-[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

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

5408-4123

Molecular Formula

C24H22N4O3 (C24 H22 N4 O3)

Compound Name

N'-[(Z)-[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

IUPAC name

N'-[(Z)-[1-(4-hydroxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

SMILES

Cc1cc(/C=N\NC(COc2cccc3cccnc23)=O)c(C)n1-c(cc1)ccc1O

InChI

InChI=1S/C24H22N4O3/c1-16-13-19(17(2)28(16)20-8-10-21(29)11-9-20)14-26-27-23(30)15-31-22-7-3-5-18-6-4-12-25-24(18)22/h3-14,29H,15H2,1-2H3,(H,27,30)

InChI Key

FXRRSOSLRNBGGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-3.04

Polar Surface Area

72.742

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5408-4123 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with 5408-4123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-4123?
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What is the minimum amount of 5408-4123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-4123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-4123
  • 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 5408-4123 available by request