J081-0893 Screening compound: 3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{2-[(2-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0893 Screening compound: 3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{2-[(2-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0893 Screening compound: 3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{2-[(2-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0893
3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-{2-[(2-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

J081-0893

Molecular Formula

C27H25N7O2 (C27 H25 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c(cccc2)c2OCc2c(C)cccc2)c2NC1=O)nn2-c(cc1)nn2c1nnc2C

InChI

InChI=1S/C27H25N7O2/c1-16-8-4-5-9-19(16)15-36-22-11-7-6-10-20(22)21-14-25(35)28-27-26(21)17(2)31-34(27)24-13-12-23-30-29-18(3)33(23)32-24/h4-13,21H,14-15H2,1-3H3,(H,28,35)/t21-/m0/s1

InChI Key

JIUGBRINWTUHGT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27224197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

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

3.771

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-4.01

Polar Surface Area

79.076

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

J081-0893 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0893?
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What is the minimum amount of J081-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0893
  • 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 J081-0893 available by request