J013-1793 Screening compound: 3-(3,4-DIMETHOXYPHENYL)-4-(4-FLUORO-3-METHOXYBENZOYL)-1H,4H,5H,6H,7H-PYRAZOLO[3,4-B]PYRIDIN-6-ONE

J013-1793 Screening compound: 3-(3,4-DIMETHOXYPHENYL)-4-(4-FLUORO-3-METHOXYBENZOYL)-1H,4H,5H,6H,7H-PYRAZOLO[3,4-B]PYRIDIN-6-ONE
J013-1793 Screening compound: 3-(3,4-DIMETHOXYPHENYL)-4-(4-FLUORO-3-METHOXYBENZOYL)-1H,4H,5H,6H,7H-PYRAZOLO[3,4-B]PYRIDIN-6-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1793
3-(3,4-DIMETHOXYPHENYL)-4-(4-FLUORO-3-METHOXYBENZOYL)-1H,4H,5H,6H,7H-PYRAZOLO[3,4-B]PYRIDIN-6-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

J013-1793

Molecular Formula

C22H20FN3O5 (C22 H20 FN3 O5)

Compound Name

3-(3,4-DIMETHOXYPHENYL)-4-(4-FLUORO-3-METHOXYBENZOYL)-1H,4H,5H,6H,7H-PYRAZOLO[3,4-B]PYRIDIN-6-ONE

IUPAC name

n/a

SMILES

COc(ccc(-c1n[nH]c(NC(C2)=O)c1C2C(c(cc1)cc(OC)c1F)=O)c1)c1OC

InChI

InChI=1S/C22H20FN3O5/c1-29-15-7-5-11(8-17(15)31-3)20-19-13(10-18(27)24-22(19)26-25-20)21(28)12-4-6-14(23)16(9-12)30-2/h4-9,13H,10H2,1-3H3,(H2,24,25,26,27)/t13-/m1/s1

InChI Key

KWYXMTVMFXFGNU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27217271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-3.07

Polar Surface Area

85.254

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J013-1793 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with J013-1793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1793?
Check Price and Availability of J013-1793, 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 J013-1793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1793
  • 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 J013-1793 available by request