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(S, S) -BMS-984923

CAT: 0931-T74185-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74185-01Size:5 mg
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CAS Number
1375752-77-4
Target
Others, GluR
Related Pathways
Neuroscience, Others
Bioactivity
(S, S) -BMS-984923 is a less active (S, S) -enantiomer of BMS-984923, exhibiting an EC50 >1μM for the mGluR5 receptor [1]. BMS-984923, in contrast, is a potent mGluR5 silent allosteric modulator [2].
Smiles
ClC1=C([C@H]2[C@@H](NC(=O)O2)C=3C=C(C#CC4=CC=CC=C4)C=NC3)C=CC=C1
Molecular Formula
C22H15ClN2O2
Molecular Weight
374.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S,S)-Bms-984923
CAS Number1375752-77-4
PubChem CID69083885
IUPAC Name(4S,5S)-5-(2-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
Molecular FormulaC22H15ClN2O2
Molecular Weight374.8
XLogP4.4
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity592
SMILES
C1=CC=C(C=C1)C#CC2=CC(=CN=C2)[C@H]3[C@@H](OC(=O)N3)C4=CC=CC=C4Cl
InChI
InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m0/s1
InChIKey
IAYVUQJOKDFLAL-SFTDATJTSA-N
Chemical Structure
2D Structure
2D structure of (S,S)-Bms-984923
CAS: 1375752-77-4
CID: 69083885
Formula: C22H15ClN2O2
MW: 374.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.8
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass374.0822054
Monoisotopic Mass374.0822054
Topological Polar Surface Area51.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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