Products for Research Use Only

PCSK9 modulator-3

CAT: 0013-GTR19187821-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187821-01Size:25 mg
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Description
PCSK9 modulator-3 (Compound 13) is a potent small molecule with an EC50 of 2.46 nM, targeting PCSK9 for hyperlipidemia research. It serves as a valuable tool for in vitro biochemical assays and in vivo studies investigating LDL-C lowering mechanisms, supporting cardiovascular disease therapeutic development.
CAS Number
2476490-18-1
Field of Research
Metabolism Research
Smiles
C (=O) (C=1C=2C (NC1) =C (F) C=CC2) C=3NC=4C (N3) =CC (F) =CC4
Molecular Formula
C16H9F2N3O
Molecular Weight
297.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PCSK9 modulator-3
CAS Number2476490-18-1
PubChem CID154626608
IUPAC Name(6-fluoro-1H-benzimidazol-2-yl)-(7-fluoro-1H-indol-3-yl)methanone
Molecular FormulaC16H9F2N3O
Molecular Weight297.26
XLogP3.5
Topological Polar Surface Area61.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity449
SMILES
C1=CC2=C(C(=C1)F)NC=C2C(=O)C3=NC4=C(N3)C=C(C=C4)F
InChI
InChI=1S/C16H9F2N3O/c17-8-4-5-12-13(6-8)21-16(20-12)15(22)10-7-19-14-9(10)2-1-3-11(14)18/h1-7,19H,(H,20,21)
InChIKey
CKWAKNVZFMTNNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PCSK9 modulator-3
CAS: 2476490-18-1
CID: 154626608
Formula: C16H9F2N3O
MW: 297.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight297.26
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass297.07136824
Monoisotopic Mass297.07136824
Topological Polar Surface Area61.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity449
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