J081-0500 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{4-[(4-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0500 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{4-[(4-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0500 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{4-[(4-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0500
1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{4-[(4-methylphenyl)methoxy]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

J081-0500

Molecular Formula

C26H23N7O2 (C26 H23 N7 O2)

Compound Name

1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{4-[(4-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

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

SMILES

Cc1nnc(cc2)n1nc2-n1ncc(C(C2)c(cc3)ccc3OCc3ccc(C)cc3)c1NC2=O

InChI

InChI=1S/C26H23N7O2/c1-16-3-5-18(6-4-16)15-35-20-9-7-19(8-10-20)21-13-25(34)28-26-22(21)14-27-33(26)24-12-11-23-30-29-17(2)32(23)31-24/h3-12,14,21H,13,15H2,1-2H3,(H,28,34)/t21-/m0/s1

InChI Key

XROXPRVETGMSDV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27224163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.28

Polar Surface Area

78.636

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

J081-0500 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • 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 J081-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0500?
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What is the minimum amount of J081-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0500
  • 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 J081-0500 available by request