5301-0011 Screening compound: 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrimidine

5301-0011 Screening compound: 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrimidine
5301-0011 Screening compound: 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5301-0011
4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrimidine

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

5301-0011

Molecular Formula

C22H22FN3O (C22 H22 FN3 O)

Compound Name

4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrimidine

IUPAC name

4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrimidine

SMILES

COc(cc1)ccc1-c1cc(-c(cc2)ccc2F)nc(N2CCCCC2)n1

InChI

InChI=1S/C22H22FN3O/c1-27-19-11-7-17(8-12-19)21-15-20(16-5-9-18(23)10-6-16)24-22(25-21)26-13-3-2-4-14-26/h5-12,15H,2-4,13-14H2,1H3

InChI Key

UNPXCHGGTIHFMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-5.74

Polar Surface Area

28.190

Acid Dissociation Constant (pKa)

20.48

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

5301-0011 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5301-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5301-0011?
Check Price and Availability of 5301-0011, 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 5301-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5301-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5301-0011
  • 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 5301-0011 available by request