3701-0014 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(4-ethoxyphenyl)methyl]amine

3701-0014 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(4-ethoxyphenyl)methyl]amine
3701-0014 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(4-ethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0014
[2-(2H-1,3-benzodioxol-5-yl)ethyl][(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

3701-0014

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNCCc(cc2)cc3c2OCO3)cc1

InChI

InChI=1S/C18H21NO3/c1-2-20-16-6-3-15(4-7-16)12-19-10-9-14-5-8-17-18(11-14)22-13-21-17/h3-8,11,19H,2,9-10,12-13H2,1H3

InChI Key

JGBLWVCVESRLRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052591

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-3.15

Polar Surface Area

36.085

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3701-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3701-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0014?
Check Price and Availability of 3701-0014, 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 3701-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0014
  • 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 3701-0014 available by request