J094-0208 Screening compound: 4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0208 Screening compound: 4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0208 Screening compound: 4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0208
4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-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

J094-0208

Molecular Formula

C21H17BrFN5O (C21 H17 BrFN5 O)

Compound Name

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

IUPAC name

4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methyl-1H-13-benzodiazol-2-yl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc(cc2)Br)c2F)c2NC1=O)nn2-c1nc(cccc2)c2n1C

InChI

InChI=1S/C21H17BrFN5O/c1-11-19-14(13-9-12(22)7-8-15(13)23)10-18(29)25-20(19)28(26-11)21-24-16-5-3-4-6-17(16)27(21)2/h3-9,14H,10H2,1-2H3,(H,25,29)/t14-/m1/s1

InChI Key

YKQRWKJOVUMVNX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27224768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

1.396

Water Solubility, LogSw

-4.35

Polar Surface Area

49.642

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

J094-0208 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with J094-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0208?
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What is the minimum amount of J094-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0208
  • 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 J094-0208 available by request