P814-5834 Screening compound: 7-methyl-9-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-8,9-dihydro-7H-purin-8-one

P814-5834 Screening compound: 7-methyl-9-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-8,9-dihydro-7H-purin-8-one
P814-5834 Screening compound: 7-methyl-9-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-8,9-dihydro-7H-purin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-5834
7-methyl-9-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-8,9-dihydro-7H-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

P814-5834

Molecular Formula

C17H19N5O2S (C17 H19 N5 O2 S)

Compound Name

7-methyl-9-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-8,9-dihydro-7H-purin-8-one

IUPAC name

7-methyl-9-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-89-dihydro-7H-purin-8-one

SMILES

CN(c1cncnc1N1C(CC2)CCN2C(Cc2cscc2)=O)C1=O

InChI

InChI=1S/C17H19N5O2S/c1-20-14-9-18-11-19-16(14)22(17(20)24)13-2-5-21(6-3-13)15(23)8-12-4-7-25-10-12/h4,7,9-11,13H,2-3,5-6,8H2,1H3

InChI Key

ZISSOKOGTSIWJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

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

1.597

Distribution Coefficient, logD

1.597

Water Solubility, LogSw

-1.76

Polar Surface Area

55.618

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

P814-5834 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P814-5834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-5834?
Check Price and Availability of P814-5834, 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 P814-5834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-5834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-5834
  • 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 P814-5834 available by request