J081-0901 Screening compound: 4-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-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

J081-0901 Screening compound: 4-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-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
J081-0901 Screening compound: 4-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-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 J081-0901
4-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-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

J081-0901

Molecular Formula

C26H22ClN7O2 (C26 H22 ClN7 O2)

Compound Name

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

SMILES

Cc(c(C(C1)c(cccc2)c2OCc(cc2)ccc2Cl)c2NC1=O)nn2-c(cc1)nn2c1nnc2C

InChI

InChI=1S/C26H22ClN7O2/c1-15-25-20(19-5-3-4-6-21(19)36-14-17-7-9-18(27)10-8-17)13-24(35)28-26(25)34(31-15)23-12-11-22-30-29-16(2)33(22)32-23/h3-12,20H,13-14H2,1-2H3,(H,28,35)/t20-/m1/s1

InChI Key

SMBDZACWKULHGL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27224205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.96

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

3.786

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.32

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

19.20

J081-0901 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 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 J081-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0901
  • 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 J081-0901 available by request