P814-5961 Screening compound: 9-[1-(ethanesulfonyl)piperidin-4-yl]-7-methyl-8,9-dihydro-7H-purin-8-one

P814-5961 Screening compound: 9-[1-(ethanesulfonyl)piperidin-4-yl]-7-methyl-8,9-dihydro-7H-purin-8-one
P814-5961 Screening compound: 9-[1-(ethanesulfonyl)piperidin-4-yl]-7-methyl-8,9-dihydro-7H-purin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-5961
9-[1-(ethanesulfonyl)piperidin-4-yl]-7-methyl-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

P814-5961

Molecular Formula

C13H19N5O3S (C13 H19 N5 O3 S)

Compound Name

9-[1-(ethanesulfonyl)piperidin-4-yl]-7-methyl-8,9-dihydro-7H-purin-8-one

IUPAC name

n/a

SMILES

CCS(N(CC1)CCC1N(c1ncncc1N1C)C1=O)(=O)=O

InChI

InChI=1S/C13H19N5O3S/c1-3-22(20,21)17-6-4-10(5-7-17)18-12-11(8-14-9-15-12)16(2)13(18)19/h8-10H,3-7H2,1-2H3

InChI Key

UCTFXBPYYZUQQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.530

Distribution Coefficient, logD

0.530

Water Solubility, LogSw

-1.37

Polar Surface Area

70.355

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

P814-5961 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P814-5961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-5961?
Check Price and Availability of P814-5961, 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 P814-5961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-5961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-5961
  • 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 P814-5961 available by request