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K-Ras G12C-IN-2

CAT: 0931-T11736-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11736-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1629267-75-9
Target
Others, Kras, Ras
Related Pathways
GPCR/G Protein, MAPK, Others
Bioactivity
K-Ras G12C-IN-2 is a covalent KRAS G12C inhibitor.
Smiles
Oc1cc(Cl)c(cc1NCC(=O)N1CCN(CC1)C1CN(C1)C(=O)C=C)C1CC1
Molecular Formula
C21H27ClN4O3
Molecular Weight
418.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

K-Ras G12C-IN-2
CAS Number1629267-75-9
PubChem CID86279948
IUPAC Name1-[3-[4-[2-(4-chloro-5-cyclopropyl-2-hydroxyanilino)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
Molecular FormulaC21H27ClN4O3
Molecular Weight418.9
XLogP2.4
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity629
SMILES
C=CC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNC3=C(C=C(C(=C3)C4CC4)Cl)O
InChI
InChI=1S/C21H27ClN4O3/c1-2-20(28)26-12-15(13-26)24-5-7-25(8-6-24)21(29)11-23-18-9-16(14-3-4-14)17(22)10-19(18)27/h2,9-10,14-15,23,27H,1,3-8,11-13H2
InChIKey
LTHUJAPYGTUVMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of K-Ras G12C-IN-2
CAS: 1629267-75-9
CID: 86279948
Formula: C21H27ClN4O3
MW: 418.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.9
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass418.1771684
Monoisotopic Mass418.1771684
Topological Polar Surface Area76.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity629
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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Alternative Products

CatalogName
GTR19206268-01K-Ras G12C-IN-2
A20936-5K-Ras G12C-IN-2 5mg
A20936-1K-Ras G12C-IN-2 1mg
A20936-100K-Ras G12C-IN-2 100mg
A20936-50K-Ras G12C-IN-2 50mg
A20936-25K-Ras G12C-IN-2 25mg
A20936-10K-Ras G12C-IN-2 10mg
EQC26517-01K-Ras G12C-IN-1
HY-18606-01K-Ras G12C-IN-3
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