P165-2109 Screening compound: 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

P165-2109 Screening compound: 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
P165-2109 Screening compound: 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P165-2109
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-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

P165-2109

Molecular Formula

C21H15F4N3O3 (C21 H15 F4 N3 O3)

Compound Name

2-(4-fluorophenyl)-3-(hydroxymethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

2-(4-fluorophenyl)-3-(hydroxymethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

OCc1c(C(N(Cc(cc2)ccc2OC(F)(F)F)C=C2)=O)n2nc1-c(cc1)ccc1F

InChI

InChI=1S/C21H15F4N3O3/c22-15-5-3-14(4-6-15)18-17(12-29)19-20(30)27(9-10-28(19)26-18)11-13-1-7-16(8-2-13)31-21(23,24)25/h1-10,29H,11-12H2

InChI Key

NFGRPOYOQVKEJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.11

Polar Surface Area

51.569

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with P165-2109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P165-2109?
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What is the minimum amount of P165-2109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P165-2109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P165-2109
  • 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 P165-2109 available by request