3381-1865 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(4-ethoxyphenyl)methyl]amine

3381-1865 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(4-ethoxyphenyl)methyl]amine
3381-1865 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(4-ethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-1865
[2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(4-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

3381-1865

Molecular Formula

C27H31NO5 (C27 H31 NO5)

Compound Name

[2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(4-ethoxyphenyl)methyl]amine

IUPAC name

[2-(2H-13-benzodioxol-5-yl)ethyl][(25-dimethoxyphenyl)methyl][(4-ethoxyphenyl)methyl]amine

SMILES

CCOc1ccc(CN(CCc(cc2)cc3c2OCO3)Cc(cc(cc2)OC)c2OC)cc1

InChI

InChI=1S/C27H31NO5/c1-4-31-23-8-5-21(6-9-23)17-28(18-22-16-24(29-2)10-12-25(22)30-3)14-13-20-7-11-26-27(15-20)33-19-32-26/h5-12,15-16H,4,13-14,17-19H2,1-3H3

InChI Key

QJSBFADNJBPBQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040884

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

4.560

Water Solubility, LogSw

-5.47

Polar Surface Area

43.070

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3381-1865 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3381-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-1865?
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What is the minimum amount of 3381-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-1865
  • 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 3381-1865 available by request