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NSC12404

CAT: 0931-T25885-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25885-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5411-64-3
Target
Others, LPL Receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
NSC-12404 is a selective non-lipid LPA2/3 agonist.
Smiles
O=C1C=2C(C=3C1=CC=CC3)=CC=C(NC(=O)C4=C(C(O)=O)C=CC=C4)C2
Molecular Formula
C21H13NO4
Molecular Weight
343.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(9-Oxo-9h-fluoren-2-yl)carbamoyl]benzoic acid
CAS Number5411-64-3
PubChem CID224134
IUPAC Name2-[(9-oxofluoren-2-yl)carbamoyl]benzoic acid
Molecular FormulaC21H13NO4
Molecular Weight343.3
XLogP4
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity589
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O
InChI
InChI=1S/C21H13NO4/c23-19-15-6-2-1-5-13(15)14-10-9-12(11-18(14)19)22-20(24)16-7-3-4-8-17(16)21(25)26/h1-11H,(H,22,24)(H,25,26)
InChIKey
AFLSVPDXCXLNDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(9-Oxo-9h-fluoren-2-yl)carbamoyl]benzoic acid
CAS: 5411-64-3
CID: 224134
Formula: C21H13NO4
MW: 343.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.3
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass343.08445790
Monoisotopic Mass343.08445790
Topological Polar Surface Area83.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19198806-01NSC12404

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