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(S) -GLPG0974

CAT: 0013-GTR19269008-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269008-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -GLPG0974 is an isomer of GLPG0974 and serves as a control compound in experiments. GLPG0974 functions as an antagonist of the free fatty acid receptor-2 (FFA2/GPR43) with an IC50 value of 9 nM.
CAS Number
2326220-69-1
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (N (CC1=CC (Cl) =CC=C1) CCCC (O) =O) (=O) [C@@]2 (C) N (C (=O) C=3C=4C (SC3) =CC=CC4) CC2
Molecular Formula
C25H25ClN2O4S
Molecular Weight
485.00
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-Glpg0974
CAS Number2326220-69-1
PubChem CID89894283
IUPAC Name4-[[(2S)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.0
XLogP4.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity752
SMILES
C[C@]1(CCN1C(=O)C2=CSC3=CC=CC=C32)C(=O)N(CCCC(=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m0/s1
InChIKey
MPMKMQHJHDHPBE-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of (S)-Glpg0974
CAS: 2326220-69-1
CID: 89894283
Formula: C25H25ClN2O4S
MW: 485.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.0
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass484.1223562
Monoisotopic Mass484.1223562
Topological Polar Surface Area106 Ų
Heavy Atom Count33
Formal Charge0
Complexity752
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

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Alternative Products

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T15388-01GLPG0974
A21466-5GLPG0974 5mg
A21466-50GLPG0974 50mg
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