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Org 24598

CAT: 0931-T37699Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T37699Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
372198-97-5
Target
Others, GlyT
Related Pathways
Neuroscience, Others
Bioactivity
Potent and selective inhibitor of the glial glycine transporter GlyT1b (IC50 = 6.9 nM) . Displays negligible activity at GlyT-2, adrenoreceptors, dopamine, 5HT receptors and noradrenaline, dopamine, 5HT and GABA transporters (pIC50 in vivo.
Smiles
[C@@H](OC1=CC=C(C(F)(F)F)C=C1)(CCN(CC(O)=O)C)C2=CC=CC=C2
Molecular Formula
C19H20F3NO3
Molecular Weight
367.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Org 24598

structure in first source

CAS Number372198-97-5
PubChem CID5311285
IUPAC Name2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid
Molecular FormulaC19H20F3NO3
Molecular Weight367.4
XLogP1.8
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity430
SMILES
CN(CC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)CC(=O)O
InChI
InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1
InChIKey
KZWQAWBTWNPFPW-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Org 24598
CAS: 372198-97-5
CID: 5311285
Formula: C19H20F3NO3
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass367.13952799
Monoisotopic Mass367.13952799
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity430
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