J094-0223 Screening compound: 4-[3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile

J094-0223 Screening compound: 4-[3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
J094-0223 Screening compound: 4-[3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0223
4-[3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-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

J094-0223

Molecular Formula

C22H18N6O (C22 H18 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c(cc2)ccc2C#N)c2NC1=O)nn2-c1nc(cccc2)c2n1C

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

-0.003

Water Solubility, LogSw

-3.19

Polar Surface Area

66.698

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

J094-0223 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J094-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0223?
Check Price and Availability of J094-0223, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J094-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0223
  • 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 J094-0223 available by request