C390-0241 Screening compound: 4-(3,4-dimethoxyphenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
Chemical Structure Depiction of ChemDiv screening compound C390-0241
4-(3,4-dimethoxyphenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-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
C390-0241
Molecular Formula
C21H21N3O3 (C21 H21 N3 O3)
Compound Name
4-(3,4-dimethoxyphenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
IUPAC name
4-(34-dimethoxyphenyl)-3-methyl-5-(4-methylphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one
SMILES
Cc1n[nH]c(C2=O)c1C(c(cc1)cc(OC)c1OC)N2c1ccc(C)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
363.42
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.300
Distribution Coefficient, logD
3.300
Water Solubility, LogSw
-3.43
Polar Surface Area
54.866
Acid Dissociation Constant (pKa)
12.01
Base Dissociation Constant (pKb)
-3.54
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.80
C390-0241 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Antiviral Library (67538 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Cancer
- GPCR
- Receptor's ligands
- PPI modulators
References: we are preparing a list of scientific research reports with C390-0241 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)