P814-5418 Screening compound: 7-methyl-9-[1-(propane-1-sulfonyl)pyrrolidin-3-yl]-8,9-dihydro-7H-purin-8-one

P814-5418 Screening compound: 7-methyl-9-[1-(propane-1-sulfonyl)pyrrolidin-3-yl]-8,9-dihydro-7H-purin-8-one
P814-5418 Screening compound: 7-methyl-9-[1-(propane-1-sulfonyl)pyrrolidin-3-yl]-8,9-dihydro-7H-purin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-5418
7-methyl-9-[1-(propane-1-sulfonyl)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

P814-5418

Molecular Formula

C13H19N5O3S (C13 H19 N5 O3 S)

Compound Name

7-methyl-9-[1-(propane-1-sulfonyl)pyrrolidin-3-yl]-8,9-dihydro-7H-purin-8-one

IUPAC name

7-methyl-9-[1-(propane-1-sulfonyl)pyrrolidin-3-yl]-89-dihydro-7H-purin-8-one

SMILES

CCCS(N(CC1)CC1N(c1ncncc1N1C)C1=O)(=O)=O

InChI

InChI=1S/C13H19N5O3S/c1-3-6-22(20,21)17-5-4-10(8-17)18-12-11(7-14-9-15-12)16(2)13(18)19/h7,9-10H,3-6,8H2,1-2H3/t10-/m1/s1

InChI Key

MVFYLCNDBUQILJ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD29030133

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

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.269

Distribution Coefficient, logD

0.269

Water Solubility, LogSw

-1.34

Polar Surface Area

70.654

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

P814-5418 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)

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Others
  • Kinases
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with P814-5418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-5418?
Check Price and Availability of P814-5418, 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 P814-5418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-5418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-5418
  • 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 P814-5418 available by request