3966-1240 Screening compound: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]propylamine

3966-1240 Screening compound: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]propylamine
3966-1240 Screening compound: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]propylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1240
[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]propylamine

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

3966-1240

Molecular Formula

C27H39NO2 (C27 H39 NO2)

Compound Name

[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]propylamine

IUPAC name

[3-(22-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]propylamine

SMILES

CCCN(CCC(C1CC(C)(C)OCC1)c1ccccc1)Cc(cc1)ccc1OC

InChI

InChI=1S/C27H39NO2/c1-5-17-28(21-22-11-13-25(29-4)14-12-22)18-15-26(23-9-7-6-8-10-23)24-16-19-30-27(2,3)20-24/h6-14,24,26H,5,15-21H2,1-4H3

InChI Key

RJLPRFHBCYYQNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

5.725

Water Solubility, LogSw

-5.57

Polar Surface Area

18.570

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

3966-1240 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3966-1240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1240?
Check Price and Availability of 3966-1240, 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 3966-1240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1240
  • 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 3966-1240 available by request