P194-0058 Screening compound: 3-{[4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

P194-0058 Screening compound: 3-{[4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile
P194-0058 Screening compound: 3-{[4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P194-0058
3-{[4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

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

P194-0058

Molecular Formula

C18H20N4O (C18 H20 N4 O)

Compound Name

3-{[4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

IUPAC name

3-{[4-methyl-6-oxo-2-(piperidin-1-yl)-16-dihydropyrimidin-1-yl]methyl}benzonitrile

SMILES

CC(N=C(N1Cc2cc(C#N)ccc2)N2CCCCC2)=CC1=O

InChI

InChI=1S/C18H20N4O/c1-14-10-17(23)22(13-16-7-5-6-15(11-16)12-19)18(20-14)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,13H2,1H3

InChI Key

VPUXXWQNWOKVLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-2.65

Polar Surface Area

46.012

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P194-0058 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Proteases

References: we are preparing a list of scientific research reports with P194-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P194-0058?
Check Price and Availability of P194-0058, 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 P194-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P194-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P194-0058
  • 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 P194-0058 available by request