J081-0512 Screening compound: 4-(4-hydroxyphenyl)-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

J081-0512 Screening compound: 4-(4-hydroxyphenyl)-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
J081-0512 Screening compound: 4-(4-hydroxyphenyl)-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 J081-0512
4-(4-hydroxyphenyl)-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

J081-0512

Molecular Formula

C18H15N7O2 (C18 H15 N7 O2)

Compound Name

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

SMILES

Cc1nnc(cc2)n1nc2-n1ncc(C(C2)c(cc3)ccc3O)c1NC2=O

InChI

InChI=1S/C18H15N7O2/c1-10-21-22-15-6-7-16(23-24(10)15)25-18-14(9-19-25)13(8-17(27)20-18)11-2-4-12(26)5-3-11/h2-7,9,13,26H,8H2,1H3,(H,20,27)/t13-/m0/s1

InChI Key

ZDBSWFPEJDZVSF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27224170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.877

Distribution Coefficient, logD

0.875

Water Solubility, LogSw

-1.69

Polar Surface Area

89.026

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

J081-0512 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • 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 J081-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0512?
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What is the minimum amount of J081-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0512
  • 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 J081-0512 available by request