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NIK-12192

CAT: 0013-GTR19210569-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210569-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NIK-12192 is an indole-based small molecule that acts as a potent and selective inhibitor of the vacuolar H+-ATPase (V-ATPase) . This compound is a valuable research tool for studying V-ATPase function in oncology, bone resorption, and renal physiology in both cellular and animal models.
CAS Number
318262-42-9
Smiles
O (CC) C1=C (C=CC (C (NC2CC (C) (C) NC (C) (C) C2) =O) =C1) C3=CC=4C (N3) =CC (Cl) =C (Cl) C4
Molecular Formula
C26H31Cl2N3O2
Molecular Weight
488.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nik-12192
CAS Number318262-42-9
PubChem CID9870097
IUPAC Name4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
Molecular FormulaC26H31Cl2N3O2
Molecular Weight488.4
XLogP5.9
Topological Polar Surface Area66.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity687
SMILES
CCOC1=C(C=CC(=C1)C(=O)NC2CC(NC(C2)(C)C)(C)C)C3=CC4=CC(=C(C=C4N3)Cl)Cl
InChI
InChI=1S/C26H31Cl2N3O2/c1-6-33-23-11-15(24(32)29-17-13-25(2,3)31-26(4,5)14-17)7-8-18(23)22-10-16-9-19(27)20(28)12-21(16)30-22/h7-12,17,30-31H,6,13-14H2,1-5H3,(H,29,32)
InChIKey
VNVUDBDBNZARAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nik-12192
CAS: 318262-42-9
CID: 9870097
Formula: C26H31Cl2N3O2
MW: 488.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.4
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass487.1793326
Monoisotopic Mass487.1793326
Topological Polar Surface Area66.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity687
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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