F248-0031 Screening compound: 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide

F248-0031 Screening compound: 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide
F248-0031 Screening compound: 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F248-0031
2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide

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

F248-0031

Molecular Formula

C16H17N5O3S (C16 H17 N5 O3 S)

Compound Name

2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide

IUPAC name

2-{[1-(2-hydroxyethyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSC(N1)=Nc(n(CCO)nc2)c2C1=O)=O

InChI

InChI=1S/C16H17N5O3S/c1-10-2-4-11(5-3-10)18-13(23)9-25-16-19-14-12(15(24)20-16)8-17-21(14)6-7-22/h2-5,8,22H,6-7,9H2,1H3,(H,18,23)(H,19,20,24)

InChI Key

ORTWZNRVNINHQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.164

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.19

Polar Surface Area

88.370

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F248-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Peptidomimetic Library (37031 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F248-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F248-0031?
Check Price and Availability of F248-0031, 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 F248-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F248-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F248-0031
  • 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 F248-0031 available by request