J013-1805 Screening compound: 4-(3,4-dimethylbenzoyl)-3-(4-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1805 Screening compound: 4-(3,4-dimethylbenzoyl)-3-(4-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1805 Screening compound: 4-(3,4-dimethylbenzoyl)-3-(4-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1805
4-(3,4-dimethylbenzoyl)-3-(4-methylphenyl)-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

J013-1805

Molecular Formula

C22H21N3O2 (C22 H21 N3 O2)

Compound Name

4-(3,4-dimethylbenzoyl)-3-(4-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(34-dimethylbenzoyl)-3-(4-methylphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(cc1)ccc1-c1n[nH]c(NC(C2)=O)c1C2C(c1cc(C)c(C)cc1)=O

InChI

InChI=1S/C22H21N3O2/c1-12-4-7-15(8-5-12)20-19-17(11-18(26)23-22(19)25-24-20)21(27)16-9-6-13(2)14(3)10-16/h4-10,17H,11H2,1-3H3,(H2,23,24,25,26)/t17-/m0/s1

InChI Key

YFKXHMLJGMPMCA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27644392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.03

Polar Surface Area

62.362

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J013-1805 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with J013-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1805?
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What is the minimum amount of J013-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1805
  • 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 J013-1805 available by request