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MK-2118

CAT: 0931-T88751-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88751-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2218504-06-2
Target
STING
Related Pathways
Immunology/Inflammation
Bioactivity
MK-2118 is a STING agonist synthesized under GMP conditions.
Smiles
C(C[C@@H](C(O)=O)C)(=O)C1=CC=2C(S1)=CC(OC)=C(OC)C2
Molecular Formula
C15H16O5S
Molecular Weight
308.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-4-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CAS Number2218504-06-2
PubChem CID134391948
IUPAC Name(2S)-4-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid
Molecular FormulaC15H16O5S
Molecular Weight308.4
XLogP2.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity400
SMILES
C[C@@H](CC(=O)C1=CC2=CC(=C(C=C2S1)OC)OC)C(=O)O
InChI
InChI=1S/C15H16O5S/c1-8(15(17)18)4-10(16)14-6-9-5-11(19-2)12(20-3)7-13(9)21-14/h5-8H,4H2,1-3H3,(H,17,18)/t8-/m0/s1
InChIKey
WBHPMBQELUEIIV-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (2S)-4-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CAS: 2218504-06-2
CID: 134391948
Formula: C15H16O5S
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass308.07184478
Monoisotopic Mass308.07184478
Topological Polar Surface Area101 Ų
Heavy Atom Count21
Formal Charge0
Complexity400
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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