J013-1810 Screening compound: 4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1810 Screening compound: 4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1810 Screening compound: 4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1810
4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-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

J013-1810

Molecular Formula

C20H14ClN3O4 (C20 H14 ClN3 O4)

Compound Name

4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(2H-13-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(C(C1)c(c(-c(cc2)ccc2Cl)n[nH]2)c2NC1=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C20H14ClN3O4/c21-12-4-1-10(2-5-12)18-17-13(8-16(25)22-20(17)24-23-18)19(26)11-3-6-14-15(7-11)28-9-27-14/h1-7,13H,8-9H2,(H2,22,23,24,25)/t13-/m1/s1

InChI Key

LMCGTEFSJJMIFS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27217276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.62

Polar Surface Area

79.478

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J013-1810 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)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J013-1810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1810?
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What is the minimum amount of J013-1810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1810
  • 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 J013-1810 available by request