P814-5887 Screening compound: 4-{[4-(7-methyl-8-oxo-8,9-dihydro-7H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile

P814-5887 Screening compound: 4-{[4-(7-methyl-8-oxo-8,9-dihydro-7H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile
P814-5887 Screening compound: 4-{[4-(7-methyl-8-oxo-8,9-dihydro-7H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-5887
4-{[4-(7-methyl-8-oxo-8,9-dihydro-7H-purin-9-yl)piperidin-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

P814-5887

Molecular Formula

C19H20N6O (C19 H20 N6 O)

Compound Name

4-{[4-(7-methyl-8-oxo-8,9-dihydro-7H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile

IUPAC name

4-{[4-(7-methyl-8-oxo-89-dihydro-7H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile

SMILES

CN(c1c(N2C3CCN(Cc(cc4)ccc4C#N)CC3)ncnc1)C2=O

InChI

InChI=1S/C19H20N6O/c1-23-17-11-21-13-22-18(17)25(19(23)26)16-6-8-24(9-7-16)12-15-4-2-14(10-20)3-5-15/h2-5,11,13,16H,6-9,12H2,1H3

InChI Key

XRYSZYURUMGMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.817

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-1.77

Polar Surface Area

59.267

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

P814-5887 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P814-5887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-5887?
Check Price and Availability of P814-5887, 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 P814-5887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-5887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-5887
  • 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 P814-5887 available by request