P212-1161 Screening compound: N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-cyanobenzamide

P212-1161 Screening compound: N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-cyanobenzamide
P212-1161 Screening compound: N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P212-1161
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-cyanobenzamide

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

P212-1161

Molecular Formula

C18H11ClN4O (C18 H11 ClN4 O)

Compound Name

N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-cyanobenzamide

IUPAC name

N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-cyanobenzamide

SMILES

N#Cc(cc1)ccc1C(Nc1cnc(-c(cc2)ccc2Cl)nc1)=O

InChI

InChI=1S/C18H11ClN4O/c19-15-7-5-13(6-8-15)17-21-10-16(11-22-17)23-18(24)14-3-1-12(9-20)2-4-14/h1-8,10-11H,(H,23,24)

InChI Key

WCPIVUSGUHWQCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.51

Polar Surface Area

59.729

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P212-1161 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P212-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P212-1161?
Check Price and Availability of P212-1161, 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 P212-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P212-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P212-1161
  • 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 P212-1161 available by request