P814-4916 Screening compound: 9-{1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}-8,9-dihydro-7H-purin-8-one

P814-4916 Screening compound: 9-{1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}-8,9-dihydro-7H-purin-8-one
P814-4916 Screening compound: 9-{1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}-8,9-dihydro-7H-purin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-4916
9-{1-[(thiophen-2-yl)methyl]pyrrolidin-3-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

P814-4916

Molecular Formula

C14H15N5OS (C14 H15 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(C2CN(Cc3cccs3)CC2)c2ncncc2N1

InChI

InChI=1S/C14H15N5OS/c20-14-17-12-6-15-9-16-13(12)19(14)10-3-4-18(7-10)8-11-2-1-5-21-11/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,20)/t10-/m1/s1

InChI Key

DOYHJJCQYKJDOQ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD29030114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

0.833

Water Solubility, LogSw

-2.05

Polar Surface Area

52.705

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

P814-4916 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with P814-4916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-4916?
Check Price and Availability of P814-4916, 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 P814-4916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-4916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-4916
  • 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 P814-4916 available by request