4896-3866 Screening compound: 3,3-bis(4-hydroxy-3-methylphenyl)-5,7-dimethyl-2,3-dihydro-1H-indol-2-one

4896-3866 Screening compound: 3,3-bis(4-hydroxy-3-methylphenyl)-5,7-dimethyl-2,3-dihydro-1H-indol-2-one
4896-3866 Screening compound: 3,3-bis(4-hydroxy-3-methylphenyl)-5,7-dimethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3866
3,3-bis(4-hydroxy-3-methylphenyl)-5,7-dimethyl-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

4896-3866

Molecular Formula

C24H23NO3 (C24 H23 NO3)

Compound Name

3,3-bis(4-hydroxy-3-methylphenyl)-5,7-dimethyl-2,3-dihydro-1H-indol-2-one

IUPAC name

33-bis(4-hydroxy-3-methylphenyl)-57-dimethyl-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1C)cc(C2(c(cc3)cc(C)c3O)c(cc3)cc(C)c3O)c1NC2=O

InChI

InChI=1S/C24H23NO3/c1-13-9-16(4)22-19(10-13)24(23(28)25-22,17-5-7-20(26)14(2)11-17)18-6-8-21(27)15(3)12-18/h5-12,26-27H,1-4H3,(H,25,28)

InChI Key

CDSCMAVZIOOPFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.15

Polar Surface Area

55.783

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4896-3866 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Glucocorticoid receptors Library (4806 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 4896-3866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3866?
Check Price and Availability of 4896-3866, 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 4896-3866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3866
  • 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 4896-3866 available by request