F426-0527 Screening compound: {1-[6-(3-fluorophenyl)-4-pyrimidinyl]-4-piperidyl}(4-methylpiperidino)methanone

F426-0527 Screening compound: {1-[6-(3-fluorophenyl)-4-pyrimidinyl]-4-piperidyl}(4-methylpiperidino)methanone
F426-0527 Screening compound: {1-[6-(3-fluorophenyl)-4-pyrimidinyl]-4-piperidyl}(4-methylpiperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F426-0527
{1-[6-(3-fluorophenyl)-4-pyrimidinyl]-4-piperidyl}(4-methylpiperidino)methanone

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

F426-0527

Molecular Formula

C22H27FN4O (C22 H27 FN4 O)

Compound Name

{1-[6-(3-fluorophenyl)-4-pyrimidinyl]-4-piperidyl}(4-methylpiperidino)methanone

IUPAC name

4-(3-fluorophenyl)-6-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine

SMILES

CC(CC1)CCN1C(C(CC1)CCN1c1cc(-c2cccc(F)c2)ncn1)=O

InChI

InChI=1S/C22H27FN4O/c1-16-5-9-27(10-6-16)22(28)17-7-11-26(12-8-17)21-14-20(24-15-25-21)18-3-2-4-19(23)13-18/h2-4,13-17H,5-12H2,1H3

InChI Key

JRBLYNIJYSBXKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27127467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.34

Polar Surface Area

39.341

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F426-0527 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F426-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F426-0527?
Check Price and Availability of F426-0527, 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 F426-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F426-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F426-0527
  • 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 F426-0527 available by request