P212-0541 Screening compound: N-(2-phenylpyrimidin-5-yl)cyclohexanecarboxamide

P212-0541 Screening compound: N-(2-phenylpyrimidin-5-yl)cyclohexanecarboxamide
P212-0541 Screening compound: N-(2-phenylpyrimidin-5-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P212-0541
N-(2-phenylpyrimidin-5-yl)cyclohexanecarboxamide

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

P212-0541

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

N-(2-phenylpyrimidin-5-yl)cyclohexanecarboxamide

IUPAC name

N-(2-phenylpyrimidin-5-yl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1cnc(-c2ccccc2)nc1

InChI

InChI=1S/C17H19N3O/c21-17(14-9-5-2-6-10-14)20-15-11-18-16(19-12-15)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,20,21)

InChI Key

MSWMIKSHGKFMML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.543

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.38

Polar Surface Area

42.865

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

P212-0541 in Drug Discovery

Included in Screening Libraries

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

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 P212-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P212-0541?
Check Price and Availability of P212-0541, 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 P212-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P212-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P212-0541
  • 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 P212-0541 available by request