8015-3696 Screening compound: N-cyclopentyl-N-{2-[(4-fluorobenzyl)oxy]benzyl}amine

8015-3696 Screening compound: N-cyclopentyl-N-{2-[(4-fluorobenzyl)oxy]benzyl}amine
8015-3696 Screening compound: N-cyclopentyl-N-{2-[(4-fluorobenzyl)oxy]benzyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3696
N-cyclopentyl-N-{2-[(4-fluorobenzyl)oxy]benzyl}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

8015-3696

Molecular Formula

C19H22FNO (C19 H22 FNO)

Compound Name

N-cyclopentyl-N-{2-[(4-fluorobenzyl)oxy]benzyl}amine

IUPAC name

N-({2-[(4-fluorophenyl)methoxy]phenyl}methyl)cyclopentanamine

SMILES

Fc1ccc(COc2c(CNC3CCCC3)cccc2)cc1

InChI

InChI=1S/C19H22FNO/c20-17-11-9-15(10-12-17)14-22-19-8-4-1-5-16(19)13-21-18-6-2-3-7-18/h1,4-5,8-12,18,21H,2-3,6-7,13-14H2

InChI Key

UNLQTVAVWVMEFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061011

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

299.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-4.69

Polar Surface Area

19.201

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

8015-3696 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-3696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3696?
Check Price and Availability of 8015-3696, 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 8015-3696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3696
  • 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 8015-3696 available by request