P431-0194 Screening compound: 4-(4-fluorophenyl)-4-oxo-N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}butanamide

P431-0194 Screening compound: 4-(4-fluorophenyl)-4-oxo-N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}butanamide
P431-0194 Screening compound: 4-(4-fluorophenyl)-4-oxo-N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-0194
4-(4-fluorophenyl)-4-oxo-N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}butanamide

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

P431-0194

Molecular Formula

C21H21FN6O2 (C21 H21 FN6 O2)

Compound Name

4-(4-fluorophenyl)-4-oxo-N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}butanamide

IUPAC name

4-(4-fluorophenyl)-4-oxo-N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}butanamide

SMILES

O=C(CCC(Nc1cn(-c(nc2)ncc2N2CCCC2)nc1)=O)c(cc1)ccc1F

InChI

InChI=1S/C21H21FN6O2/c22-16-5-3-15(4-6-16)19(29)7-8-20(30)26-17-11-25-28(14-17)21-23-12-18(13-24-21)27-9-1-2-10-27/h3-6,11-14H,1-2,7-10H2,(H,26,30)

InChI Key

APNQIXYUAUMAGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.025

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.61

Polar Surface Area

73.081

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P431-0194 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P431-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-0194?
Check Price and Availability of P431-0194, 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 P431-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-0194
  • 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 P431-0194 available by request