C301-5821 Screening compound: 3-[(3-methoxyphenyl)amino]-2-phenyl-1H-inden-1-one

C301-5821 Screening compound: 3-[(3-methoxyphenyl)amino]-2-phenyl-1H-inden-1-one
C301-5821 Screening compound: 3-[(3-methoxyphenyl)amino]-2-phenyl-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5821
3-[(3-methoxyphenyl)amino]-2-phenyl-1H-inden-1-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

C301-5821

Molecular Formula

C22H17NO2 (C22 H17 NO2)

Compound Name

3-[(3-methoxyphenyl)amino]-2-phenyl-1H-inden-1-one

IUPAC name

3-[(3-methoxyphenyl)amino]-2-phenyl-1H-inden-1-one

SMILES

COc1cccc(NC(c(cccc2)c2C2=O)=C2c2ccccc2)c1

InChI

InChI=1S/C22H17NO2/c1-25-17-11-7-10-16(14-17)23-21-18-12-5-6-13-19(18)22(24)20(21)15-8-3-2-4-9-15/h2-14,23H,1H3

InChI Key

JUTXCBDQSFLYBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.70

Polar Surface Area

30.055

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C301-5821 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-5821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5821?
Check Price and Availability of C301-5821, 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 C301-5821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5821
  • 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 C301-5821 available by request