The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
MBP146-78 - 10mM in DMSO, high purity , CAS No.188343-77-3
Basic Description
Synonyms
188343-77-3 | MBP146-78 | Pyridine, 4-[2-(4-fluorophenyl)-5-(1-methyl-4-piperidinyl)-1H-pyrrol-3-yl]- | 4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine | CHEMBL190228 | MMV688703 | 4-(2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
MBP146-78 is a potent and selective inhibitor of cyclic GMP(cGMP)-dependent protein kinases/Protein Kinase G (PKG) and displays cytostatic activity against Toxoplasma gondii.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
MBP146-78 MBP146-78 is a potent and selective inhibitor of cyclic GMP(cGMP)-dependent protein kinases/Protein Kinase G (PKG) and displays cytostatic activity against Toxoplasma gondii .
Targets
PKG
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Fluorobenzenes Aralkylamines Pyridines and derivatives Piperidines Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrole - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyridine - Piperidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
4.078
hba_count
1
HBD Count
1
Rotatable Bond
3
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine
INCHI
InChI=1S/C21H22FN3/c1-25-12-8-16(9-13-25)20-14-19(15-6-10-23-11-7-15)21(24-20)17-2-4-18(22)5-3-17/h2-7,10-11,14,16,24H,8-9,12-13H2,1H3
InChIKey
RBWNFHXBUDPAIO-UHFFFAOYSA-N
Smiles
CN1CCC(CC1)C2=CC(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC=C4
Isomeric SMILES
CN1CCC(CC1)C2=CC(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC=C4
Molecular Weight
335.42
Reaxy-Rn
10023935
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10023935&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
12
DMSO(mM) Max Solubility
35.7760419772226
Water(mg / mL) Max Solubility
＜1
Molecular Weight
335.400 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
335.18 Da
Monoisotopic Mass
335.18 Da
Topological Polar Surface Area
31.900 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
409.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
