4965-0041 Screening compound: [3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl][(4-methylphenyl)methyl]amine

4965-0041 Screening compound: [3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl][(4-methylphenyl)methyl]amine
4965-0041 Screening compound: [3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl][(4-methylphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4965-0041
[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl][(4-methylphenyl)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

4965-0041

Molecular Formula

C25H27NO3 (C25 H27 NO3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNCCC(c(cc2)cc3c2OCO3)c(cccc2)c2OC)cc1

InChI

InChI=1S/C25H27NO3/c1-18-7-9-19(10-8-18)16-26-14-13-21(22-5-3-4-6-23(22)27-2)20-11-12-24-25(15-20)29-17-28-24/h3-12,15,21,26H,13-14,16-17H2,1-2H3/t21-/m0/s1

InChI Key

MTSPOMKWJNERCH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03448169

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

389.49

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

5.236

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-5.15

Polar Surface Area

36.320

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 4965-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4965-0041?
Check Price and Availability of 4965-0041, 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 4965-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4965-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4965-0041
  • 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 4965-0041 available by request