J013-1390 Screening compound: 1-(2,3-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1390 Screening compound: 1-(2,3-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1390 Screening compound: 1-(2,3-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1390
1-(2,3-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-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

J013-1390

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

1-(2,3-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(23-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCCOc(cc1)ccc1C(C(CC(N1)=O)c2c1n(-c1c(C)c(C)ccc1)nc2C)=O

InChI

InChI=1S/C25H27N3O3/c1-5-13-31-19-11-9-18(10-12-19)24(30)20-14-22(29)26-25-23(20)17(4)27-28(25)21-8-6-7-15(2)16(21)3/h6-12,20H,5,13-14H2,1-4H3,(H,26,29)/t20-/m0/s1

InChI Key

PJDNQSILFJQZBB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27217135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.28

Polar Surface Area

59.947

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

J013-1390 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J013-1390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1390?
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What is the minimum amount of J013-1390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1390
  • 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 J013-1390 available by request