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PCSK9 modulator-2

CAT: 0013-GTR19187930-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187930-02Size:50 mg
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Description
Compound 1 (PCSK9 modulator-2) is a potent small molecule inhibitor of PCSK9 with an EC50 of 202 nM. It serves as a valuable research tool for investigating hyperlipidemia, enabling in vitro biochemical assays and in vivo studies targeting LDL-C reduction.
CAS Number
2365416-53-9
Field of Research
Metabolism Research
Smiles
C (C=1C=2C (NC1) =C (F) C=CC2) C=3NC=4C (C3) =CC (F) =CC4
Molecular Formula
C17H12F2N2
Molecular Weight
282.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PCSK9 modulator-2
CAS Number2365416-53-9
PubChem CID118886864
IUPAC Name5-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-indole
Molecular FormulaC17H12F2N2
Molecular Weight282.29
XLogP4.3
Topological Polar Surface Area31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity378
SMILES
C1=CC2=C(C(=C1)F)NC=C2CC3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C17H12F2N2/c18-12-4-5-16-10(6-12)7-13(21-16)8-11-9-20-17-14(11)2-1-3-15(17)19/h1-7,9,20-21H,8H2
InChIKey
KEZWBVBCRCZTMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PCSK9 modulator-2
CAS: 2365416-53-9
CID: 118886864
Formula: C17H12F2N2
MW: 282.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.29
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass282.09685472
Monoisotopic Mass282.09685472
Topological Polar Surface Area31.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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