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SNAP 398299

CAT: 0931-T28822-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28822-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
903878-06-8
Target
Galectin
Related Pathways
Immunology/Inflammation
Purity
0.9716
Bioactivity
SNAP 398299 is a Glycopeptide Receptor Type 3 (Gal3) antagonist with anxiolytic and antidepressant-like effects and is used in the study of mood disorders.
Smiles
O=C1C(=NC2=CC=CC(=C2)C(F)(F)F)C=3C=CC=CC3N1C=4C=CC=C(OCCN5CCCC5)C4
Molecular Formula
C27H24F3N3O2
Molecular Weight
479.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Snap 398299
CAS Number903878-06-8
PubChem CID11698643
IUPAC Name1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
Molecular FormulaC27H24F3N3O2
Molecular Weight479.5
XLogP5.7
Topological Polar Surface Area45.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity767
SMILES
C1CCN(C1)CCOC2=CC=CC(=C2)N3C4=CC=CC=C4C(=NC5=CC=CC(=C5)C(F)(F)F)C3=O
InChI
InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2
InChIKey
HXCJZIBJTFITNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Snap 398299
CAS: 903878-06-8
CID: 11698643
Formula: C27H24F3N3O2
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass479.18206150
Monoisotopic Mass479.18206150
Topological Polar Surface Area45.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity767
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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