P814-6591 Screening compound: N-[2-(8-oxo-8,9-dihydro-7H-purin-9-yl)ethyl]-2-phenoxypropanamide

P814-6591 Screening compound: N-[2-(8-oxo-8,9-dihydro-7H-purin-9-yl)ethyl]-2-phenoxypropanamide
P814-6591 Screening compound: N-[2-(8-oxo-8,9-dihydro-7H-purin-9-yl)ethyl]-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-6591
N-[2-(8-oxo-8,9-dihydro-7H-purin-9-yl)ethyl]-2-phenoxypropanamide

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

P814-6591

Molecular Formula

C16H17N5O3 (C16 H17 N5 O3)

Compound Name

N-[2-(8-oxo-8,9-dihydro-7H-purin-9-yl)ethyl]-2-phenoxypropanamide

IUPAC name

N-[2-(8-oxo-89-dihydro-7H-purin-9-yl)ethyl]-2-phenoxypropanamide

SMILES

CC(C(NCCN(c(ncnc1)c1N1)C1=O)=O)Oc1ccccc1

InChI

InChI=1S/C16H17N5O3/c1-11(24-12-5-3-2-4-6-12)15(22)18-7-8-21-14-13(20-16(21)23)9-17-10-19-14/h2-6,9-11H,7-8H2,1H3,(H,18,22)(H,20,23)

InChI Key

RFFQQHMNUXBDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.218

Distribution Coefficient, logD

1.218

Water Solubility, LogSw

-1.60

Polar Surface Area

79.919

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

P814-6591 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P814-6591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-6591?
Check Price and Availability of P814-6591, 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 P814-6591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-6591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-6591
  • 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 P814-6591 available by request