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LY2444296

CAT: 0013-GTR19244384-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244384-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LY2444296 is an orally bioavailable, high-affinity and selective short-acting kappa opioid receptor (KOPR) antagonist, with a Ki value of ~1 nM. LY2444296 exhibits anti-anxiety like effects.
CAS Number
1346133-11-6
Purity
>98% (HPLC)
Solubility
In Vitro: Ethanol : 27.5 mg/mL (67.33 mM; Ultrasonic)
Smiles
NC (=O) c1ccc (Oc2ccc (CN3CCC[C@H]3c3cccc (F) c3) cc2) c (F) c1
Molecular Formula
C24H22F2N2O2
Molecular Weight
408.44
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(S)-3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
CAS Number1346133-11-6
PubChem CID56655502
IUPAC Name3-fluoro-4-[4-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
Molecular FormulaC24H22F2N2O2
Molecular Weight408.4
XLogP4.4
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity569
SMILES
C1C[C@H](N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)F)C4=CC(=CC=C4)F
InChI
InChI=1S/C24H22F2N2O2/c25-19-4-1-3-17(13-19)22-5-2-12-28(22)15-16-6-9-20(10-7-16)30-23-11-8-18(24(27)29)14-21(23)26/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H2,27,29)/t22-/m0/s1
InChIKey
WHHMECUDUQRPJT-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
CAS: 1346133-11-6
CID: 56655502
Formula: C24H22F2N2O2
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass408.16493427
Monoisotopic Mass408.16493427
Topological Polar Surface Area55.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T11909-01LY2444296
WDC13311-01Ly2444296 (fp3fbz)

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