J094-0190 Screening compound: 4-[1-(1H-1,3-benzodiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile

J094-0190 Screening compound: 4-[1-(1H-1,3-benzodiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
J094-0190 Screening compound: 4-[1-(1H-1,3-benzodiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0190
4-[1-(1H-1,3-benzodiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile

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

J094-0190

Molecular Formula

C21H16N6O (C21 H16 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c(cc2)ccc2C#N)c2NC1=O)nn2-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C21H16N6O/c1-12-19-15(14-8-6-13(11-22)7-9-14)10-18(28)25-20(19)27(26-12)21-23-16-4-2-3-5-17(16)24-21/h2-9,15H,10H2,1H3,(H,23,24)(H,25,28)/t15-/m0/s1

InChI Key

CXBVMAJQLKKHMR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15080726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

0.312

Water Solubility, LogSw

-2.78

Polar Surface Area

74.365

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

J094-0190 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Proteases

References: we are preparing a list of scientific research reports with J094-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0190?
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What is the minimum amount of J094-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0190
  • 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 J094-0190 available by request