8020-0094 Screening compound: [(4-fluorophenyl)methyl][(1H-indol-4-yl)methyl]amine

8020-0094 Screening compound: [(4-fluorophenyl)methyl][(1H-indol-4-yl)methyl]amine
8020-0094 Screening compound: [(4-fluorophenyl)methyl][(1H-indol-4-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0094
[(4-fluorophenyl)methyl][(1H-indol-4-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

8020-0094

Molecular Formula

C16H15FN2 (C16 H15 FN2)

Compound Name

[(4-fluorophenyl)methyl][(1H-indol-4-yl)methyl]amine

IUPAC name

[(4-fluorophenyl)methyl][(1H-indol-4-yl)methyl]amine

SMILES

Fc1ccc(CNCc2c(cc[nH]3)c3ccc2)cc1

InChI

InChI=1S/C16H15FN2/c17-14-6-4-12(5-7-14)10-18-11-13-2-1-3-16-15(13)8-9-19-16/h1-9,18-19H,10-11H2

InChI Key

XNKVZGOLAUCKEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09455111

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

254.31

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-2.94

Polar Surface Area

21.785

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8020-0094 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0094?
Check Price and Availability of 8020-0094, 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 8020-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0094
  • 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 8020-0094 available by request