8104-04116 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amine

8104-04116 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amine
8104-04116 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04116
[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)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

8104-04116

Molecular Formula

C14H15NO2S (C14 H15 NO2 S)

Compound Name

[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amine

IUPAC name

[(2H-13-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amine

SMILES

Cc1ccc(CNCc(cc2)cc3c2OCO3)s1

InChI

InChI=1S/C14H15NO2S/c1-10-2-4-12(18-10)8-15-7-11-3-5-13-14(6-11)17-9-16-13/h2-6,15H,7-9H2,1H3

InChI Key

XXZOSQCOGWRGAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752548

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

261.34

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

3.143

Distribution Coefficient, logD

-0.225

Water Solubility, LogSw

-3.15

Polar Surface Area

30.138

Acid Dissociation Constant (pKa)

25.75

Base Dissociation Constant (pKb)

10.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8104-04116 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8104-04116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-04116?
Check Price and Availability of 8104-04116, 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 8104-04116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04116
  • 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 8104-04116 available by request