1718-0399 Screening compound: N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-iodobenzohydrazide

1718-0399 Screening compound: N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-iodobenzohydrazide
1718-0399 Screening compound: N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-iodobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1718-0399
N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-iodobenzohydrazide

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

1718-0399

Molecular Formula

C15H9BrIN3O2 (C15 H9 BrIN3 O2)

Compound Name

N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-iodobenzohydrazide

IUPAC name

N'-[(3E)-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]-3-iodobenzohydrazide

SMILES

O=C(c1cccc(I)c1)N/N=C(\c(cc(cc1)Br)c1N1)/C1=O

InChI

InChI=1S/C15H9BrIN3O2/c16-9-4-5-12-11(7-9)13(15(22)18-12)19-20-14(21)8-2-1-3-10(17)6-8/h1-7H,(H,20,21)(H,18,19,22)

InChI Key

IHDZMYJXJPMHIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-4.42

Polar Surface Area

59.364

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1718-0399 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1718-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1718-0399?
Check Price and Availability of 1718-0399, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1718-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1718-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1718-0399
  • 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 1718-0399 available by request