C390-0507 Screening compound: ethyl 4-[4-(3-methoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
Chemical Structure Depiction of ChemDiv screening compound C390-0507
ethyl 4-[4-(3-methoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
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
C390-0507
Molecular Formula
C25H21N3O4S (C25 H21 N3 O4 S)
Compound Name
ethyl 4-[4-(3-methoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
IUPAC name
ethyl 4-[4-(3-methoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoate
SMILES
CCOC(c(cc1)ccc1N(C(c1c2[nH]nc1-c1cccs1)c1cc(OC)ccc1)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
459.53
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.258
Distribution Coefficient, logD
5.258
Water Solubility, LogSw
-5.13
Polar Surface Area
68.843
Acid Dissociation Constant (pKa)
11.96
Base Dissociation Constant (pKb)
-3.70
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
16.00
C390-0507 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C390-0507 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)