5408-1617 Screening compound: N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzohydrazide

5408-1617 Screening compound: N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzohydrazide
5408-1617 Screening compound: N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1617
N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzohydrazide

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

5408-1617

Molecular Formula

C25H22N4O2 (C25 H22 N4 O2)

Compound Name

N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzohydrazide

IUPAC name

N'-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzohydrazide

SMILES

O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N/N=C(/c(cccc1)c1N1)\C1=O

InChI

InChI=1S/C25H22N4O2/c30-24(28-27-23-21-7-3-4-8-22(21)26-25(23)31)19-11-9-17(10-12-19)15-29-14-13-18-5-1-2-6-20(18)16-29/h1-12H,13-16H2,(H,28,30)(H,26,27,31)

InChI Key

FGPQOCFRRKBRFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04074514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-4.06

Polar Surface Area

62.759

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5408-1617 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5408-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1617?
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What is the minimum amount of 5408-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1617
  • 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 5408-1617 available by request