F248-0063 Screening compound: N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

F248-0063 Screening compound: N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
F248-0063 Screening compound: N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F248-0063
N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}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

F248-0063

Molecular Formula

C17H18N6O4S (C17 H18 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H18N6O4S/c1-10(25)19-11-2-4-12(5-3-11)20-14(26)9-28-17-21-15-13(16(27)22-17)8-18-23(15)6-7-24/h2-5,8,24H,6-7,9H2,1H3,(H,19,25)(H,20,26)(H,21,22,27)

InChI Key

NXIDQGYVEJNDFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.058

Distribution Coefficient, logD

-0.089

Water Solubility, LogSw

-2.12

Polar Surface Area

111.632

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

F248-0063 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

PD-1/L1 Library (498 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with F248-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F248-0063?
Check Price and Availability of F248-0063, 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 F248-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F248-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F248-0063
  • 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 F248-0063 available by request