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BPRMU191

CAT: 0931-T202265-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202265-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2131199-52-3
Target
Opioid Receptor
Related Pathways
Endocrinology/Hormones, Neuroscience, GPCR/G Protein
Bioactivity
BPRMU191 is a distinct mu-opioid receptor (MOR) modulator with an EC50 of 2.17 μM in FLIPR Ca2+ assays conducted on CHO-K1/MOR/Gα15 cells. Additionally, BPRMU191 interacts with MOR in the presence of naloxone.
Smiles
O=C(O)C1=CC=C(C(=C1)C)N2C(=O)CSC2C3=CC=C(F)C=C3
Molecular Formula
C17H14FNO3S
Molecular Weight
331.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bprmu191
CAS Number2131199-52-3
PubChem CID130385623
IUPAC Name4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoic acid
Molecular FormulaC17H14FNO3S
Molecular Weight331.4
XLogP3.4
Topological Polar Surface Area82.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity467
SMILES
CC1=C(C=CC(=C1)C(=O)O)N2C(SCC2=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FNO3S/c1-10-8-12(17(21)22)4-7-14(10)19-15(20)9-23-16(19)11-2-5-13(18)6-3-11/h2-8,16H,9H2,1H3,(H,21,22)
InChIKey
XFVROXANDOEHAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bprmu191
CAS: 2131199-52-3
CID: 130385623
Formula: C17H14FNO3S
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass331.06784264
Monoisotopic Mass331.06784264
Topological Polar Surface Area82.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19242283-01BPRMU191

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