5408-3894 Screening compound: N'-[(Z)-[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

5408-3894 Screening compound: N'-[(Z)-[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide
5408-3894 Screening compound: N'-[(Z)-[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-3894
N'-[(Z)-[1-(prop-2-yn-1-yl)-1H-indol-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

5408-3894

Molecular Formula

C23H18N4O2 (C23 H18 N4 O2)

Compound Name

N'-[(Z)-[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

IUPAC name

N'-[(Z)-[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

SMILES

C#CCn1c(cccc2)c2c(/C=N\NC(COc2cccc3cccnc23)=O)c1

InChI

InChI=1S/C23H18N4O2/c1-2-13-27-15-18(19-9-3-4-10-20(19)27)14-25-26-22(28)16-29-21-11-5-7-17-8-6-12-24-23(17)21/h1,3-12,14-15H,13,16H2,(H,26,28)

InChI Key

LONDBUMELLWCNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.63

Polar Surface Area

54.442

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5408-3894 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5408-3894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-3894?
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What is the minimum amount of 5408-3894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-3894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-3894
  • 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 5408-3894 available by request