J094-0180 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-(3-chlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of ChemDiv screening compound J094-0180
1-(1H-1,3-benzodiazol-2-yl)-4-(3-chlorophenyl)-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
J094-0180
Molecular Formula
C20H16ClN5O (C20 H16 ClN5 O)
Compound Name
1-(1H-1,3-benzodiazol-2-yl)-4-(3-chlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
IUPAC name
1-(1H-13-benzodiazol-2-yl)-4-(3-chlorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one
SMILES
Cc(c(C(C1)c2cccc(Cl)c2)c2NC1=O)nn2-c1nc(cccc2)c2[nH]1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
377.83
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
3.450
Distribution Coefficient, logD
1.297
Water Solubility, LogSw
-3.81
Polar Surface Area
57.309
Acid Dissociation Constant (pKa)
10.89
Base Dissociation Constant (pKb)
9.55
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
15.00
J094-0180 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Chelators targeting matrix metalloproteinases library (8930 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Cardiovascular
- 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
- Nervous system
- Cardiovascular
- Proteases
- Kinases
- Proteases
- Ion Channels
References: we are preparing a list of scientific research reports with J094-0180 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)