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PCSK9 modulator-4

CAT: 0013-GTR19187700-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187700-02Size:50 mg
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Description
PCSK9 modulator-4 (Compound 21) is a highly potent small molecule inhibitor of PCSK9 with an EC50 of 0.15 nM. It serves as a valuable research tool for investigating hyperlipidemia, enabling in vitro and in vivo studies aimed at validating PCSK9 as a therapeutic target for lowering LDL-cholesterol.
CAS Number
2476490-20-5
Field of Research
Metabolism Research
Smiles
C (=O) (C=1C=2C (NC1) =C (F) C=CC2) C=3N (C) C=4C (N3) =CC=C (F) C4
Molecular Formula
C17H11F2N3O
Molecular Weight
311.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PCSK9 modulator-4
CAS Number2476490-20-5
PubChem CID154626627
IUPAC Name(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone
Molecular FormulaC17H11F2N3O
Molecular Weight311.28
XLogP3.4
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity477
SMILES
CN1C2=C(C=CC(=C2)F)N=C1C(=O)C3=CNC4=C3C=CC=C4F
InChI
InChI=1S/C17H11F2N3O/c1-22-14-7-9(18)5-6-13(14)21-17(22)16(23)11-8-20-15-10(11)3-2-4-12(15)19/h2-8,20H,1H3
InChIKey
QLKHIHJMEWHCQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PCSK9 modulator-4
CAS: 2476490-20-5
CID: 154626627
Formula: C17H11F2N3O
MW: 311.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.28
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass311.08701831
Monoisotopic Mass311.08701831
Topological Polar Surface Area50.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity477
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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