J081-0954 Screening compound: 4-[3-methoxy-4-(2-methylpropoxy)phenyl]-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

J081-0954 Screening compound: 4-[3-methoxy-4-(2-methylpropoxy)phenyl]-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
J081-0954 Screening compound: 4-[3-methoxy-4-(2-methylpropoxy)phenyl]-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 J081-0954
4-[3-methoxy-4-(2-methylpropoxy)phenyl]-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

J081-0954

Molecular Formula

C24H27N7O3 (C24 H27 N7 O3)

Compound Name

4-[3-methoxy-4-(2-methylpropoxy)phenyl]-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-methoxy-4-(2-methylpropoxy)phenyl]-3-methyl-1-{3-methyl-[124]triazolo[43-b]pyridazin-6-yl}-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CC(C)COc(ccc(C(CC(N1)=O)c2c1n(-c(cc1)nn3c1nnc3C)nc2C)c1)c1OC

InChI

InChI=1S/C24H27N7O3/c1-13(2)12-34-18-7-6-16(10-19(18)33-5)17-11-22(32)25-24-23(17)14(3)28-31(24)21-9-8-20-27-26-15(4)30(20)29-21/h6-10,13,17H,11-12H2,1-5H3,(H,25,32)/t17-/m0/s1

InChI Key

GKHGBPCETTYPGC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27224235

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

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-3.13

Polar Surface Area

86.978

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J081-0954 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 J081-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J081-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0954
  • 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 J081-0954 available by request