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Org27759

CAT: 0931-T28261-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28261-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868273-09-0
Target
Others
Related Pathways
Others
Bioactivity
Org27759, an allosteric modulator of the CB1 receptor, significantly increases the binding of the CB1 receptor agonist.
Smiles
C(C)C=1C=2C(NC1C(NCCC3=CC=C(N(C)C)C=C3)=O)=CC=C(F)C2
Molecular Formula
C21H24FN3O
Molecular Weight
353.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-(Dimethylamino)phenethyl)-3-ethyl-5-fluoro-1H-indole-2-carboxamide
CAS Number868273-09-0
PubChem CID57345765
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide
Molecular FormulaC21H24FN3O
Molecular Weight353.4
XLogP4.6
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity464
SMILES
CCC1=C(NC2=C1C=C(C=C2)F)C(=O)NCCC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C21H24FN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
InChIKey
MUYUEZAKMLKZSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(Dimethylamino)phenethyl)-3-ethyl-5-fluoro-1H-indole-2-carboxamide
CAS: 868273-09-0
CID: 57345765
Formula: C21H24FN3O
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass353.19034056
Monoisotopic Mass353.19034056
Topological Polar Surface Area48.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity464
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

Alternative Products

CatalogName
MBS5777954Org27759

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