8563-0580 Screening compound: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

8563-0580 Screening compound: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
8563-0580 Screening compound: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0580
2-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-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

8563-0580

Molecular Formula

C18H14FN5O (C18 H14 FN5 O)

Compound Name

2-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

IUPAC name

2-(46-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-1H2H3H-pyrazolo[34-b]pyridin-3-one

SMILES

Cc1nc(N2Nc3nccc(-c(cc4)ccc4F)c3C2=O)nc(C)c1

InChI

InChI=1S/C18H14FN5O/c1-10-9-11(2)22-18(21-10)24-17(25)15-14(7-8-20-16(15)23-24)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,20,23)

InChI Key

BQLKWLUZIYFIDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.39

Polar Surface Area

55.701

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8563-0580 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8563-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0580?
Check Price and Availability of 8563-0580, 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 8563-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0580
  • 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 8563-0580 available by request