C301-5881 Screening compound: 3-{[(4-methylphenyl)methyl]amino}-2-phenyl-1H-inden-1-one

C301-5881 Screening compound: 3-{[(4-methylphenyl)methyl]amino}-2-phenyl-1H-inden-1-one
C301-5881 Screening compound: 3-{[(4-methylphenyl)methyl]amino}-2-phenyl-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5881
3-{[(4-methylphenyl)methyl]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

C301-5881

Molecular Formula

C23H19NO (C23 H19 NO)

Compound Name

3-{[(4-methylphenyl)methyl]amino}-2-phenyl-1H-inden-1-one

IUPAC name

3-{[(4-methylphenyl)methyl]amino}-2-phenyl-1H-inden-1-one

SMILES

Cc1ccc(CNC(c(cccc2)c2C2=O)=C2c2ccccc2)cc1

InChI

InChI=1S/C23H19NO/c1-16-11-13-17(14-12-16)15-24-22-19-9-5-6-10-20(19)23(25)21(22)18-7-3-2-4-8-18/h2-14,24H,15H2,1H3

InChI Key

SXMMMFBGHFUIPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.766

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-4.65

Polar Surface Area

23.833

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C301-5881 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C301-5881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5881?
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What is the minimum amount of C301-5881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5881
  • 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 C301-5881 available by request