6408-0049 Screening compound: benzyl({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methyl)amine

6408-0049 Screening compound: benzyl({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methyl)amine
6408-0049 Screening compound: benzyl({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0049
benzyl({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}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

6408-0049

Molecular Formula

C23H24ClNO2 (C23 H24 ClNO2)

Compound Name

benzyl({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methyl)amine

IUPAC name

benzyl({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methyl)amine

SMILES

CCOc(cc(CNCc1ccccc1)cc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C23H24ClNO2/c1-2-26-23-14-20(16-25-15-18-6-4-3-5-7-18)10-13-22(23)27-17-19-8-11-21(24)12-9-19/h3-14,25H,2,15-17H2,1H3

InChI Key

SSZPKFQNZNKWCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02767946

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

381.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-4.93

Polar Surface Area

26.529

Acid Dissociation Constant (pKa)

26.21

Base Dissociation Constant (pKb)

9.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

6408-0049 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 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:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6408-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0049?
Check Price and Availability of 6408-0049, 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 6408-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0049
  • 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 6408-0049 available by request