8015-0462 Screening compound: N-(1-adamantyl)-N-{2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}amine

8015-0462 Screening compound: N-(1-adamantyl)-N-{2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}amine
8015-0462 Screening compound: N-(1-adamantyl)-N-{2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0462
N-(1-adamantyl)-N-{2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}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

8015-0462

Molecular Formula

C25H30FNO2 (C25 H30 FNO2)

Compound Name

N-(1-adamantyl)-N-{2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}amine

IUPAC name

N-({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)adamantan-1-amine

SMILES

COc(cccc1CNC2(CC(C3)C4)CC4CC3C2)c1OCc(cccc1)c1F

InChI

InChI=1S/C25H30FNO2/c1-28-23-8-4-6-20(24(23)29-16-21-5-2-3-7-22(21)26)15-27-25-12-17-9-18(13-25)11-19(10-17)14-25/h2-8,17-19,27H,9-16H2,1H3

InChI Key

XHUOVHUTIIWKRG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

395.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

2.769

Water Solubility, LogSw

-5.92

Polar Surface Area

26.522

Acid Dissociation Constant (pKa)

26.12

Base Dissociation Constant (pKb)

10.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

8015-0462 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8015-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0462?
Check Price and Availability of 8015-0462, 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 8015-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0462
  • 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 8015-0462 available by request