3875-0321 Screening compound: benzyl[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]amine

3875-0321 Screening compound: benzyl[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]amine
3875-0321 Screening compound: benzyl[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3875-0321
benzyl[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]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

3875-0321

Molecular Formula

C17H19NO2 (C17 H19 NO2)

Compound Name

benzyl[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]amine

IUPAC name

benzyl[1-(23-dihydro-14-benzodioxin-2-yl)ethyl]amine

SMILES

CC(C1Oc(cccc2)c2OC1)NCc1ccccc1

InChI

InChI=1S/C17H19NO2/c1-13(18-11-14-7-3-2-4-8-14)17-12-19-15-9-5-6-10-16(15)20-17/h2-10,13,17-18H,11-12H2,1H3

InChI Key

YPPYOQYQJOKSGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540558

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

269.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

2.510

Water Solubility, LogSw

-3.36

Polar Surface Area

26.395

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

3875-0321 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3875-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3875-0321?
Check Price and Availability of 3875-0321, 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 3875-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3875-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3875-0321
  • 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 3875-0321 available by request