P165-2530 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

P165-2530 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
P165-2530 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P165-2530
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)-4H,5H-pyrazolo[1,5-a]pyrazin-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

P165-2530

Molecular Formula

C27H27FN4O3 (C27 H27 FN4 O3)

Compound Name

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

OCc1c(C(N(CC(N2CCC(Cc3ccccc3)CC2)=O)C=C2)=O)n2nc1-c(cc1)ccc1F

InChI

InChI=1S/C27H27FN4O3/c28-22-8-6-21(7-9-22)25-23(18-33)26-27(35)31(14-15-32(26)29-25)17-24(34)30-12-10-20(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,20,33H,10-13,16-18H2

InChI Key

LVEUZHJGOOSKSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.42

Polar Surface Area

61.753

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

P165-2530 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P165-2530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P165-2530?
Check Price and Availability of P165-2530, 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 P165-2530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P165-2530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P165-2530
  • 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 P165-2530 available by request