F248-0100 Screening compound: 6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

F248-0100 Screening compound: 6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
F248-0100 Screening compound: 6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F248-0100
6-{[(2,5-dimethylphenyl)methyl]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

F248-0100

Molecular Formula

C16H18N4O2S (C16 H18 N4 O2 S)

Compound Name

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

IUPAC name

6-{[(25-dimethylphenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc1cc(CSC(N2)=Nc(n(CCO)nc3)c3C2=O)c(C)cc1

InChI

InChI=1S/C16H18N4O2S/c1-10-3-4-11(2)12(7-10)9-23-16-18-14-13(15(22)19-16)8-17-20(14)5-6-21/h3-4,7-8,21H,5-6,9H2,1-2H3,(H,18,19,22)

InChI Key

GIOIQSJWGOFIED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09241021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-2.82

Polar Surface Area

65.221

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

F248-0100 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F248-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F248-0100?
Check Price and Availability of F248-0100, 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 F248-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F248-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F248-0100
  • 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 F248-0100 available by request