J081-0496 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[4-(2-phenylethoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0496 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[4-(2-phenylethoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0496 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[4-(2-phenylethoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0496
1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[4-(2-phenylethoxy)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

J081-0496

Molecular Formula

C26H23N7O2 (C26 H23 N7 O2)

Compound Name

1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[4-(2-phenylethoxy)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-(2-phenylethoxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc1nnc(cc2)n1nc2-n1ncc(C(C2)c(cc3)ccc3OCCc3ccccc3)c1NC2=O

InChI

InChI=1S/C26H23N7O2/c1-17-29-30-23-11-12-24(31-32(17)23)33-26-22(16-27-33)21(15-25(34)28-26)19-7-9-20(10-8-19)35-14-13-18-5-3-2-4-6-18/h2-12,16,21H,13-15H2,1H3,(H,28,34)/t21-/m0/s1

InChI Key

QAMMLCIROGTCJX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27224161

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

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.43

Polar Surface Area

78.555

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

J081-0496 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with J081-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0496?
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What is the minimum amount of J081-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0496
  • 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 J081-0496 available by request