F248-0021 Screening compound: 1-(2-hydroxyethyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

F248-0021 Screening compound: 1-(2-hydroxyethyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
F248-0021 Screening compound: 1-(2-hydroxyethyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F248-0021
1-(2-hydroxyethyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-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

F248-0021

Molecular Formula

C19H22N6O3S (C19 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OCCn1ncc(C(N2)=O)c1N=C2SCC(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C19H22N6O3S/c26-11-10-25-17-15(12-20-25)18(28)22-19(21-17)29-13-16(27)24-8-6-23(7-9-24)14-4-2-1-3-5-14/h1-5,12,26H,6-11,13H2,(H,21,22,28)

InChI Key

KFBWJFMCIPUSGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.639

Distribution Coefficient, logD

0.608

Water Solubility, LogSw

-2.30

Polar Surface Area

84.874

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

F248-0021 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F248-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F248-0021?
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What is the minimum amount of F248-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F248-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F248-0021
  • 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 F248-0021 available by request