P671-2822 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

P671-2822 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
P671-2822 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P671-2822
N-{[4-(dimethylamino)phenyl]methyl}-2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

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

P671-2822

Molecular Formula

C22H21FN6O2 (C22 H21 FN6 O2)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-2-[2-(4-fluorophenyl)-4-oxo-4H5H-pyrazolo[15-d][124]triazin-7-yl]acetamide

SMILES

CN(C)c1ccc(CNC(CC(n(c2c3)nc3-c(cc3)ccc3F)=NNC2=O)=O)cc1

InChI

InChI=1S/C22H21FN6O2/c1-28(2)17-9-3-14(4-10-17)13-24-21(30)12-20-25-26-22(31)19-11-18(27-29(19)20)15-5-7-16(23)8-6-15/h3-11H,12-13H2,1-2H3,(H,24,30)(H,26,31)

InChI Key

MNSZSIDIUGOZSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-2.87

Polar Surface Area

78.025

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P671-2822 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 P671-2822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P671-2822?
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What is the minimum amount of P671-2822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P671-2822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P671-2822
  • 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 P671-2822 available by request