J081-0827 Screening compound: 4-(3-fluorophenyl)-3-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0827 Screening compound: 4-(3-fluorophenyl)-3-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0827 Screening compound: 4-(3-fluorophenyl)-3-methyl-1-{[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 J081-0827
4-(3-fluorophenyl)-3-methyl-1-{[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

J081-0827

Molecular Formula

C18H14FN7O (C18 H14 FN7 O)

Compound Name

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

SMILES

Cc(c(C(C1)c2cccc(F)c2)c2NC1=O)nn2-c(cc1)nn2c1nnc2

InChI

InChI=1S/C18H14FN7O/c1-10-17-13(11-3-2-4-12(19)7-11)8-16(27)21-18(17)26(23-10)15-6-5-14-22-20-9-25(14)24-15/h2-7,9,13H,8H2,1H3,(H,21,27)/t13-/m1/s1

InChI Key

MGOVPMQSLPWTSK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD15080068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.522

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-2.07

Polar Surface Area

71.636

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

J081-0827 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0827?
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What is the minimum amount of J081-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0827
  • 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 J081-0827 available by request