5408-3936 Screening compound: N'-[(Z)-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

5408-3936 Screening compound: N'-[(Z)-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide
5408-3936 Screening compound: N'-[(Z)-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-3936
N'-[(Z)-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]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

5408-3936

Molecular Formula

C22H18BrN3O4 (C22 H18 BrN3 O4)

Compound Name

N'-[(Z)-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

IUPAC name

N'-[(Z)-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-(quinolin-8-yloxy)acetohydrazide

SMILES

COc1cc(/C=N\NC(COc2cccc3cccnc23)=O)cc(Br)c1OCC#C

InChI

InChI=1S/C22H18BrN3O4/c1-3-10-29-22-17(23)11-15(12-19(22)28-2)13-25-26-20(27)14-30-18-8-4-6-16-7-5-9-24-21(16)18/h1,4-9,11-13H,10,14H2,2H3,(H,26,27)

InChI Key

MJTKHWOIJWXCQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-3.78

Polar Surface Area

67.681

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5408-3936 in Drug Discovery

Included in Screening Libraries

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 5408-3936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-3936?
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What is the minimum amount of 5408-3936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-3936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-3936
  • 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 5408-3936 available by request