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PK095

CAT: 0013-GTR19211859-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211859-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PK095 is a guanidine-based small molecule inhibitor of F1F0-ATPase. This research compound is used in vitro and in vivo to study mitochondrial function, cellular energy metabolism, and related pathways in bioenergetics and disease models.
CAS Number
380314-37-4
Product Name Alternative
F0F1 ATP synthase, WAY606012, PK095, PK-095, PK 095
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
96.84% (May vary between batches)
Solubility
DMSO:3.79 mg/mL (10.01 mM)
Smiles
C (C) N1C=2C (C=3C1=CC=CC3) =CC (NC (CSC=4NC (=O) C=CN4) =O) =CC2
Molecular Formula
C20H18N4O2S
Molecular Weight
378.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(9-ethylcarbazol-3-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CAS Number380314-37-4
PubChem CID2362080
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
Molecular FormulaC20H18N4O2S
Molecular Weight378.4
XLogP2.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity650
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3)C4=CC=CC=C41
InChI
InChI=1S/C20H18N4O2S/c1-2-24-16-6-4-3-5-14(16)15-11-13(7-8-17(15)24)22-19(26)12-27-20-21-10-9-18(25)23-20/h3-11H,2,12H2,1H3,(H,22,26)(H,21,23,25)
InChIKey
ALEUTTNIZDFZSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(9-ethylcarbazol-3-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CAS: 380314-37-4
CID: 2362080
Formula: C20H18N4O2S
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass378.11504700
Monoisotopic Mass378.11504700
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity650
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

Alternative Products

CatalogName
BA3477-5PK095

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