P431-1336 Screening compound: 1-(2-phenylethyl)-3-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea

P431-1336 Screening compound: 1-(2-phenylethyl)-3-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea
P431-1336 Screening compound: 1-(2-phenylethyl)-3-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-1336
1-(2-phenylethyl)-3-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea

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

P431-1336

Molecular Formula

C21H25N7O (C21 H25 N7 O)

Compound Name

1-(2-phenylethyl)-3-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea

IUPAC name

1-(2-phenylethyl)-3-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea

SMILES

O=C(NCCc1ccccc1)Nc1cn(-c(nc2)ncc2N2CCCCC2)nc1

InChI

InChI=1S/C21H25N7O/c29-21(22-10-9-17-7-3-1-4-8-17)26-18-13-25-28(16-18)20-23-14-19(15-24-20)27-11-5-2-6-12-27/h1,3-4,7-8,13-16H,2,5-6,9-12H2,(H2,22,26,29)

InChI Key

BRRNAIQZVGIEHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.316

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-2.80

Polar Surface Area

70.057

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P431-1336 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P431-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-1336?
Check Price and Availability of P431-1336, 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 P431-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-1336
  • 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 P431-1336 available by request