C301-5546 Screening compound: 2-(4-methoxyphenyl)-2-[(3-methylphenyl)amino]-2,3-dihydro-1H-indene-1,3-dione

C301-5546 Screening compound: 2-(4-methoxyphenyl)-2-[(3-methylphenyl)amino]-2,3-dihydro-1H-indene-1,3-dione
C301-5546 Screening compound: 2-(4-methoxyphenyl)-2-[(3-methylphenyl)amino]-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5546
2-(4-methoxyphenyl)-2-[(3-methylphenyl)amino]-2,3-dihydro-1H-indene-1,3-dione

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

C301-5546

Molecular Formula

C23H19NO3 (C23 H19 NO3)

Compound Name

2-(4-methoxyphenyl)-2-[(3-methylphenyl)amino]-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-(4-methoxyphenyl)-2-[(3-methylphenyl)amino]-23-dihydro-1H-indene-13-dione

SMILES

Cc1cccc(NC(C(c2c3cccc2)=O)(C3=O)c(cc2)ccc2OC)c1

InChI

InChI=1S/C23H19NO3/c1-15-6-5-7-17(14-15)24-23(16-10-12-18(27-2)13-11-16)21(25)19-8-3-4-9-20(19)22(23)26/h3-14,24H,1-2H3

InChI Key

BOOZCMFJOQFVBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-4.68

Polar Surface Area

44.677

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

-7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C301-5546 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-5546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5546?
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What is the minimum amount of C301-5546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5546
  • 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 C301-5546 available by request