C390-0314 Screening compound: 3-(4-bromophenyl)-5-(4-methylphenyl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
Chemical Structure Depiction of ChemDiv screening compound C390-0314
3-(4-bromophenyl)-5-(4-methylphenyl)-4-(pyridin-3-yl)-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
C390-0314
Molecular Formula
C23H17BrN4O (C23 H17 BrN4 O)
Compound Name
3-(4-bromophenyl)-5-(4-methylphenyl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
IUPAC name
3-(4-bromophenyl)-5-(4-methylphenyl)-4-(pyridin-3-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one
SMILES
Cc(cc1)ccc1N(C(c1c2[nH]nc1-c(cc1)ccc1Br)c1cnccc1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
445.32
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.781
Distribution Coefficient, logD
4.780
Water Solubility, LogSw
-4.29
Polar Surface Area
49.045
Acid Dissociation Constant (pKa)
10.15
Base Dissociation Constant (pKb)
2.99
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
8.70
C390-0314 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- 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 C390-0314 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)