P814-5529 Screening compound: 9-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}-7-methyl-7,9-dihydro-8H-purin-8-one

P814-5529 Screening compound: 9-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}-7-methyl-7,9-dihydro-8H-purin-8-one
P814-5529 Screening compound: 9-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}-7-methyl-7,9-dihydro-8H-purin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-5529
9-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}-7-methyl-7,9-dihydro-8H-purin-8-one

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

P814-5529

Molecular Formula

C17H23N7O (C17 H23 N7 O)

Compound Name

9-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}-7-methyl-7,9-dihydro-8H-purin-8-one

IUPAC name

n/a

SMILES

Cc1c(CN(CCC2)CC2N(c(ncnc2)c2N2C)C2=O)cnn1C

InChI

InChI=1S/C17H23N7O/c1-12-13(7-20-22(12)3)9-23-6-4-5-14(10-23)24-16-15(8-18-11-19-16)21(2)17(24)25/h7-8,11,14H,4-6,9-10H2,1-3H3/t14-/m0/s1

InChI Key

JMNFDLFUZZUMJB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29030192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.150

Distribution Coefficient, logD

-4.523

Water Solubility, LogSw

-0.58

Polar Surface Area

56.631

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

12.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

P814-5529 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P814-5529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-5529?
Check Price and Availability of P814-5529, 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 P814-5529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-5529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-5529
  • 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 P814-5529 available by request