P814-5256 Screening compound: 7-methyl-9-{1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-7,9-dihydro-8H-purin-8-one

P814-5256 Screening compound: 7-methyl-9-{1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-7,9-dihydro-8H-purin-8-one
P814-5256 Screening compound: 7-methyl-9-{1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-7,9-dihydro-8H-purin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-5256
7-methyl-9-{1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-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

P814-5256

Molecular Formula

C16H17N5O2S (C16 H17 N5 O2 S)

Compound Name

7-methyl-9-{1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-7,9-dihydro-8H-purin-8-one

IUPAC name

n/a

SMILES

CN(c1cncnc1N1C(CC2)CN2C(Cc2cscc2)=O)C1=O

InChI

InChI=1S/C16H17N5O2S/c1-19-13-7-17-10-18-15(13)21(16(19)23)12-2-4-20(8-12)14(22)6-11-3-5-24-9-11/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t12-/m1/s1

InChI Key

AIJBPDVHRMLHHV-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29030158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

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

1.091

Distribution Coefficient, logD

1.091

Water Solubility, LogSw

-1.75

Polar Surface Area

55.917

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

P814-5256 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 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
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P814-5256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-5256?
Check Price and Availability of P814-5256, 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 P814-5256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-5256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-5256
  • 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 P814-5256 available by request