5868-0623 Screening compound: N-({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-4-(piperidin-1-yl)aniline

5868-0623 Screening compound: N-({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-4-(piperidin-1-yl)aniline
5868-0623 Screening compound: N-({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-4-(piperidin-1-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0623
N-({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-4-(piperidin-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

5868-0623

Molecular Formula

C26H28ClFN2O2 (C26 H28 ClFN2 O2)

Compound Name

N-({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-4-(piperidin-1-yl)aniline

IUPAC name

N-({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-4-(piperidin-1-yl)aniline

SMILES

COc1cc(CNc(cc2)ccc2N2CCCCC2)cc(Cl)c1OCc(cc1)ccc1F

InChI

InChI=1S/C26H28ClFN2O2/c1-31-25-16-20(15-24(27)26(25)32-18-19-5-7-21(28)8-6-19)17-29-22-9-11-23(12-10-22)30-13-3-2-4-14-30/h5-12,15-16,29H,2-4,13-14,17-18H2,1H3

InChI Key

HHSVKKUQYMXVNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03698253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.97

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

6.375

Distribution Coefficient, logD

6.319

Water Solubility, LogSw

-6.37

Polar Surface Area

28.957

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

5868-0623 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5868-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0623?
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What is the minimum amount of 5868-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0623
  • 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 5868-0623 available by request