J081-0986 Screening compound: 4-(3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid

J081-0986 Screening compound: 4-(3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
J081-0986 Screening compound: 4-(3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0986
4-(3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid

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

J081-0986

Molecular Formula

C20H17N7O3 (C20 H17 N7 O3)

Compound Name

4-(3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid

IUPAC name

4-(3-methyl-1-{3-methyl-[124]triazolo[43-b]pyridazin-6-yl}-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl)benzoic acid

SMILES

Cc(c(C(C1)c(cc2)ccc2C(O)=O)c2NC1=O)nn2-c(cc1)nn2c1nnc2C

InChI

InChI=1S/C20H17N7O3/c1-10-18-14(12-3-5-13(6-4-12)20(29)30)9-17(28)21-19(18)27(24-10)16-8-7-15-23-22-11(2)26(15)25-16/h3-8,14H,9H2,1-2H3,(H,21,28)(H,29,30)/t14-/m0/s1

InChI Key

RCNDNBOGWHXPIT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD16623088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.265

Distribution Coefficient, logD

-1.707

Water Solubility, LogSw

-1.92

Polar Surface Area

100.170

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J081-0986 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 J081-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0986?
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What is the minimum amount of J081-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0986
  • 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 J081-0986 available by request