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LON63114

CAT: 0931-T71179-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71179-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1229363-11-4
Target
Others
Related Pathways
Others
Bioactivity
LON63114, also known as FFA2-Agonist-1 is a selective orthosteric agonist of human FFA2. FFA2-Agonist-1 is potentially useful in the treatment of gastrointestinal disorders and inflammatory bowel diseases. LON63114 was reported in WO2011076732. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming) .
Smiles
N(C([C@H](CC1=CC=CC=C1)CC(O)=O)=O)(C2=NC(=CS2)C3=C(Cl)C=CC(Cl)=C3)C4CC4
Molecular Formula
C23H20Cl2N2O3S
Molecular Weight
475.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3R)-3-benzyl-4-[cyclopropyl-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CAS Number1229363-11-4
PubChem CID53302677
IUPAC Name(3R)-3-benzyl-4-[cyclopropyl-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.4
XLogP5.5
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity644
SMILES
C1CC1N(C2=NC(=CS2)C3=C(C=CC(=C3)Cl)Cl)C(=O)[C@H](CC4=CC=CC=C4)CC(=O)O
InChI
InChI=1S/C23H20Cl2N2O3S/c24-16-6-9-19(25)18(12-16)20-13-31-23(26-20)27(17-7-8-17)22(30)15(11-21(28)29)10-14-4-2-1-3-5-14/h1-6,9,12-13,15,17H,7-8,10-11H2,(H,28,29)/t15-/m1/s1
InChIKey
LCRQPJWEPVZEBE-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of (3R)-3-benzyl-4-[cyclopropyl-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CAS: 1229363-11-4
CID: 53302677
Formula: C23H20Cl2N2O3S
MW: 475.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass474.0571691
Monoisotopic Mass474.0571691
Topological Polar Surface Area98.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity644
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
MBS5813718LON63114

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