F248-0022 Screening compound: 6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

F248-0022 Screening compound: 6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
F248-0022 Screening compound: 6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F248-0022
6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-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

F248-0022

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

OCCn1ncc(C(N2)=O)c1N=C2SCC(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C21H25N5O3S/c27-11-10-26-19-17(13-22-26)20(29)24-21(23-19)30-14-18(28)25-8-6-16(7-9-25)12-15-4-2-1-3-5-15/h1-5,13,16,27H,6-12,14H2,(H,23,24,29)

InChI Key

UFAJIFRDDFJHOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14083405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.975

Distribution Coefficient, logD

1.944

Water Solubility, LogSw

-2.63

Polar Surface Area

81.342

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F248-0022 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with F248-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F248-0022?
Check Price and Availability of F248-0022, 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 F248-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F248-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F248-0022
  • 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 F248-0022 available by request