J094-0171 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0171 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0171 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0171
1-(1H-1,3-benzodiazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-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

J094-0171

Molecular Formula

C20H15F2N5O (C20 H15 F2 N5 O)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(1H-13-benzodiazol-2-yl)-4-(25-difluorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc(cc2)F)c2F)c2NC1=O)nn2-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C20H15F2N5O/c1-10-18-13(12-8-11(21)6-7-14(12)22)9-17(28)25-19(18)27(26-10)20-23-15-4-2-3-5-16(15)24-20/h2-8,13H,9H2,1H3,(H,23,24)(H,25,28)/t13-/m1/s1

InChI Key

AXGLHAGMZZEDBO-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27224744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

1.030

Water Solubility, LogSw

-3.29

Polar Surface Area

57.309

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J094-0171 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases
  • Kinases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J094-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J094-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0171
  • 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 J094-0171 available by request