5555-0337 Screening compound: [3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine

5555-0337 Screening compound: [3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine
5555-0337 Screening compound: [3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5555-0337
[3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine

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

5555-0337

Molecular Formula

C24H25NO3 (C24 H25 NO3)

Compound Name

[3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine

IUPAC name

[3-(2H-13-benzodioxol-5-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine

SMILES

COc1ccc(CNCCC(c2ccccc2)c(cc2)cc3c2OCO3)cc1

InChI

InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3/t22-/m0/s1

InChI Key

MSMGILWIFGCKCS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02058265

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-4.58

Polar Surface Area

36.233

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5555-0337 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5555-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5555-0337?
Check Price and Availability of 5555-0337, 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 5555-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5555-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5555-0337
  • 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 5555-0337 available by request