5868-0543 Screening compound: N-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)-4-(pyrrolidin-1-yl)aniline

5868-0543 Screening compound: N-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)-4-(pyrrolidin-1-yl)aniline
5868-0543 Screening compound: N-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)-4-(pyrrolidin-1-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0543
N-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)-4-(pyrrolidin-1-yl)aniline

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

5868-0543

Molecular Formula

C25H27FN2O2 (C25 H27 FN2 O2)

Compound Name

N-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)-4-(pyrrolidin-1-yl)aniline

IUPAC name

N-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)-4-(pyrrolidin-1-yl)aniline

SMILES

COc(cc(CNc(cc1)ccc1N1CCCC1)cc1)c1OCc(cccc1)c1F

InChI

InChI=1S/C25H27FN2O2/c1-29-25-16-19(8-13-24(25)30-18-20-6-2-3-7-23(20)26)17-27-21-9-11-22(12-10-21)28-14-4-5-15-28/h2-3,6-13,16,27H,4-5,14-15,17-18H2,1H3

InChI Key

QKTUUPCFPKVPHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03698249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.286

Water Solubility, LogSw

-5.32

Polar Surface Area

29.236

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

5868-0543 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5868-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0543?
Check Price and Availability of 5868-0543, 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 5868-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0543
  • 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 5868-0543 available by request