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BMS-955829

CAT: 0931-T30545-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T30545-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1375751-08-8
Target
Others
Related Pathways
Others
Bioactivity
BMS-955829 is a positive allosteric modulator (PAM) .
Smiles
FC1=C([C@@H]2[C@H](NC(=O)O2)C=3C=C(C#CC4=CC=CC=C4)C=NC3)C=C(F)C=C1
Molecular Formula
C22H14F2N2O2
Molecular Weight
376.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4R,5R)-5-(2,5-difluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CAS Number1375751-08-8
PubChem CID57330204
IUPAC Name(4R,5R)-5-(2,5-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
Molecular FormulaC22H14F2N2O2
Molecular Weight376.4
XLogP3.9
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity625
SMILES
C1=CC=C(C=C1)C#CC2=CC(=CN=C2)[C@@H]3[C@H](OC(=O)N3)C4=C(C=CC(=C4)F)F
InChI
InChI=1S/C22H14F2N2O2/c23-17-8-9-19(24)18(11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1
InChIKey
HIRXVQATYCZQHB-NHCUHLMSSA-N
Chemical Structure
2D Structure
2D structure of (4R,5R)-5-(2,5-difluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CAS: 1375751-08-8
CID: 57330204
Formula: C22H14F2N2O2
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass376.10233402
Monoisotopic Mass376.10233402
Topological Polar Surface Area51.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity625
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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