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CCT196969

CAT: 1568-C12913-02Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C12913-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1163719-56-9
SKU
C12913-5mg
Target
Raf
Applications
MAPK
Smiles
CC (C) (C) C1=NN (C (=C1) NC (=O) NC2=C (C=C (C=C2) OC3=C4C (=NC=C3) NC (=O) C=N4) F) C5=CC=CC=C5
Molecular Formula
C27H24FN7O3
Additionnal Information
CCT196969 is a novel orally available, pan-RAF inhibitor with anti-SRC activity. It also inhibits SRC, LCK, and the p38 MAPKs.
Storage Conditions
2 years -80 in solvent

Chemical Information

Cct196969
CAS Number1163719-56-9
PubChem CID42628843
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
Molecular FormulaC27H24FN7O3
Molecular Weight513.5
XLogP4.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity877
SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5
InChI
InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)
InChIKey
KYYKGSDLXXKQCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cct196969
CAS: 1163719-56-9
CID: 42628843
Formula: C27H24FN7O3
MW: 513.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.5
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass513.19246582
Monoisotopic Mass513.19246582
Topological Polar Surface Area123 Ų
Heavy Atom Count38
Formal Charge0
Complexity877
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
BA6529-25CCT196969
A22372-50CCT196969 50mg
A22372-5CCT196969 5mg
A22372-100CCT196969 100mg
A22372-25CCT196969 25mg

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