J081-0942 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0942 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0942 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-methyl-1-{3-methyl-[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 J081-0942
4-(3-ethoxy-4-propoxyphenyl)-3-methyl-1-{3-methyl-[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

J081-0942

Molecular Formula

C24H27N7O3 (C24 H27 N7 O3)

Compound Name

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

SMILES

CCCOc(ccc(C(CC(N1)=O)c2c1n(-c(cc1)nn3c1nnc3C)nc2C)c1)c1OCC

InChI

InChI=1S/C24H27N7O3/c1-5-11-34-18-8-7-16(12-19(18)33-6-2)17-13-22(32)25-24-23(17)14(3)28-31(24)21-10-9-20-27-26-15(4)30(20)29-21/h7-10,12,17H,5-6,11,13H2,1-4H3,(H,25,32)/t17-/m0/s1

InChI Key

GEFQKURRIWHZRS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27224233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.97

Polar Surface Area

86.477

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J081-0942 in Drug Discovery

Included in Screening Libraries

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
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0942?
Check Price and Availability of J081-0942, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J081-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0942
  • 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 J081-0942 available by request