8011-9789 Screening compound: 3,3-bis(4-methylphenyl)-1-[(E)-(phenylmethylidene)amino]-2,3-dihydro-1H-indol-2-one

8011-9789 Screening compound: 3,3-bis(4-methylphenyl)-1-[(E)-(phenylmethylidene)amino]-2,3-dihydro-1H-indol-2-one
8011-9789 Screening compound: 3,3-bis(4-methylphenyl)-1-[(E)-(phenylmethylidene)amino]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9789
3,3-bis(4-methylphenyl)-1-[(E)-(phenylmethylidene)amino]-2,3-dihydro-1H-indol-2-one

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

8011-9789

Molecular Formula

C29H24N2O (C29 H24 N2 O)

Compound Name

3,3-bis(4-methylphenyl)-1-[(E)-(phenylmethylidene)amino]-2,3-dihydro-1H-indol-2-one

IUPAC name

33-bis(4-methylphenyl)-1-[(E)-(phenylmethylidene)amino]-23-dihydro-1H-indol-2-one

SMILES

Cc1ccc(C(c(cccc2)c2N2/N=C/c3ccccc3)(C2=O)c2ccc(C)cc2)cc1

InChI

InChI=1S/C29H24N2O/c1-21-12-16-24(17-13-21)29(25-18-14-22(2)15-19-25)26-10-6-7-11-27(26)31(28(29)32)30-20-23-8-4-3-5-9-23/h3-20H,1-2H3

InChI Key

MLJGUFPDQXWONS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.622

Distribution Coefficient, logD

6.622

Water Solubility, LogSw

-5.76

Polar Surface Area

25.579

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

8011-9789 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 8011-9789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9789?
Check Price and Availability of 8011-9789, 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 8011-9789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9789
  • 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 8011-9789 available by request