J081-0362 Screening compound: 4-(4-ethoxy-3-methoxyphenyl)-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0362 Screening compound: 4-(4-ethoxy-3-methoxyphenyl)-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0362 Screening compound: 4-(4-ethoxy-3-methoxyphenyl)-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0362
4-(4-ethoxy-3-methoxyphenyl)-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-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

J081-0362

Molecular Formula

C20H19N7O3 (C20 H19 N7 O3)

Compound Name

4-(4-ethoxy-3-methoxyphenyl)-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(4-ethoxy-3-methoxyphenyl)-1-{[124]triazolo[43-b]pyridazin-6-yl}-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCOc(ccc(C(CC(N1)=O)c2c1n(-c(cc1)nn3c1nnc3)nc2)c1)c1OC

InChI

InChI=1S/C20H19N7O3/c1-3-30-15-5-4-12(8-16(15)29-2)13-9-19(28)23-20-14(13)10-22-27(20)18-7-6-17-24-21-11-26(17)25-18/h4-8,10-11,13H,3,9H2,1-2H3,(H,23,28)/t13-/m0/s1

InChI Key

ILZTVRWEDSKENO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27224153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.525

Distribution Coefficient, logD

1.525

Water Solubility, LogSw

-2.17

Polar Surface Area

86.124

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J081-0362 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • 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 J081-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0362?
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What is the minimum amount of J081-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0362
  • 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 J081-0362 available by request