P198-0076 Screening compound: 6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one

P198-0076 Screening compound: 6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one
P198-0076 Screening compound: 6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P198-0076
6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one

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

P198-0076

Molecular Formula

C18H23FN4O (C18 H23 FN4 O)

Compound Name

6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one

IUPAC name

6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-(propan-2-yl)-34-dihydropyrimidin-4-one

SMILES

CC(C)C(N1)=NC(CN(CC2)CCN2c(cc2)ccc2F)=CC1=O

InChI

InChI=1S/C18H23FN4O/c1-13(2)18-20-15(11-17(24)21-18)12-22-7-9-23(10-8-22)16-5-3-14(19)4-6-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,24)

InChI Key

MIQGGPVQPHAYJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

1.367

Water Solubility, LogSw

-2.86

Polar Surface Area

42.561

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

P198-0076 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P198-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P198-0076?
Check Price and Availability of P198-0076, 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 P198-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P198-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P198-0076
  • 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 P198-0076 available by request