J013-1796 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(3,4-dimethylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1796 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(3,4-dimethylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1796 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(3,4-dimethylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1796
3-(3,4-dimethoxyphenyl)-4-(3,4-dimethylbenzoyl)-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

J013-1796

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1C(C(C1)c(c(-c(cc2)cc(OC)c2OC)n[nH]2)c2NC1=O)=O

InChI

InChI=1S/C23H23N3O4/c1-12-5-6-15(9-13(12)2)22(28)16-11-19(27)24-23-20(16)21(25-26-23)14-7-8-17(29-3)18(10-14)30-4/h5-10,16H,11H2,1-4H3,(H2,24,25,26,27)/t16-/m0/s1

InChI Key

WBCMCJNXAOPPOG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27217272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.272

Water Solubility, LogSw

-3.45

Polar Surface Area

77.623

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

J013-1796 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J013-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1796?
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What is the minimum amount of J013-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1796
  • 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 J013-1796 available by request