3169-1163 Screening compound: [(furan-2-yl)methyl][(2-methoxyphenyl)methyl]amine

3169-1163 Screening compound: [(furan-2-yl)methyl][(2-methoxyphenyl)methyl]amine
3169-1163 Screening compound: [(furan-2-yl)methyl][(2-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3169-1163
[(furan-2-yl)methyl][(2-methoxyphenyl)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

3169-1163

Molecular Formula

C13H15NO2 (C13 H15 NO2)

Compound Name

[(furan-2-yl)methyl][(2-methoxyphenyl)methyl]amine

IUPAC name

[(furan-2-yl)methyl][(2-methoxyphenyl)methyl]amine

SMILES

COc1c(CNCc2ccco2)cccc1

InChI

InChI=1S/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3

InChI Key

WKNQLAHUYDYUNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01135028

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

217.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

1.671

Water Solubility, LogSw

-2.73

Polar Surface Area

27.383

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3169-1163 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3169-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3169-1163?
Check Price and Availability of 3169-1163, 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 3169-1163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3169-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3169-1163
  • 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 3169-1163 available by request