J013-1788 Screening compound: 4-(4-bromobenzoyl)-3-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1788 Screening compound: 4-(4-bromobenzoyl)-3-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1788 Screening compound: 4-(4-bromobenzoyl)-3-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1788
4-(4-bromobenzoyl)-3-phenyl-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

J013-1788

Molecular Formula

C19H14BrN3O2 (C19 H14 BrN3 O2)

Compound Name

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

IUPAC name

4-(4-bromobenzoyl)-3-phenyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(C(C1)c(c(-c2ccccc2)n[nH]2)c2NC1=O)c(cc1)ccc1Br

InChI

InChI=1S/C19H14BrN3O2/c20-13-8-6-12(7-9-13)18(25)14-10-15(24)21-19-16(14)17(22-23-19)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,21,22,23,24)/t14-/m1/s1

InChI Key

RWBIWSRVSGAKMM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27217269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.24

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

3.290

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.43

Polar Surface Area

62.362

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

J013-1788 in Drug Discovery

Included in Screening Libraries

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
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with J013-1788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1788?
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What is the minimum amount of J013-1788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1788
  • 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 J013-1788 available by request