5408-1602 Screening compound: N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(phenylsulfanyl)methyl]benzohydrazide

5408-1602 Screening compound: N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(phenylsulfanyl)methyl]benzohydrazide
5408-1602 Screening compound: N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(phenylsulfanyl)methyl]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1602
N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(phenylsulfanyl)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

5408-1602

Molecular Formula

C22H16BrN3O2S (C22 H16 BrN3 O2 S)

Compound Name

N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-[(phenylsulfanyl)methyl]benzohydrazide

IUPAC name

N'-[(3Z)-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-[(phenylsulfanyl)methyl]benzohydrazide

SMILES

O=C(c1ccc(CSc2ccccc2)cc1)N/N=C(/c(cc(cc1)Br)c1N1)\C1=O

InChI

InChI=1S/C22H16BrN3O2S/c23-16-10-11-19-18(12-16)20(22(28)24-19)25-26-21(27)15-8-6-14(7-9-15)13-29-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)(H,24,25,28)

InChI Key

WAMLVBRTEOFLQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01120668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.79

Polar Surface Area

59.093

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5408-1602 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 5408-1602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1602?
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What is the minimum amount of 5408-1602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1602
  • 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 5408-1602 available by request