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CZ830

CAT: 0013-GTR19194862-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194862-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CZ830 is a small molecule mTOR inhibitor exhibiting submicromolar potency. It is a valuable research tool for studying the PI3K/Akt/mTOR pathway in both cellular and biochemical assays, with applications in oncology and metabolic disease research.
CAS Number
1333108-58-9
Smiles
S (C) (=O) (=O) C1=C (C2=NC (=NC (=C2) C3=CC=C (NC (NCC (F) F) =O) C=C3) N4[C@@H] (C) COCC4) C=C (F) C=C1
Molecular Formula
C25H26F3N5O4S
Molecular Weight
549.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-1-(2,2-difluoroethyl)-3-(4-(6-(5-fluoro-2-(methylsulfonyl)phenyl)-2-(3-methylmorpholino)pyrimidin-4-yl)phenyl)urea
CAS Number1333108-58-9
PubChem CID53379556
IUPAC Name1-(2,2-difluoroethyl)-3-[4-[6-(5-fluoro-2-methylsulfonylphenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea
Molecular FormulaC25H26F3N5O4S
Molecular Weight549.6
XLogP3.2
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity887
SMILES
C[C@H]1COCCN1C2=NC(=CC(=N2)C3=C(C=CC(=C3)F)S(=O)(=O)C)C4=CC=C(C=C4)NC(=O)NCC(F)F
InChI
InChI=1S/C25H26F3N5O4S/c1-15-14-37-10-9-33(15)24-31-20(16-3-6-18(7-4-16)30-25(34)29-13-23(27)28)12-21(32-24)19-11-17(26)5-8-22(19)38(2,35)36/h3-8,11-12,15,23H,9-10,13-14H2,1-2H3,(H2,29,30,34)/t15-/m0/s1
InChIKey
SKXDOVJWDKHFEB-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(2,2-difluoroethyl)-3-(4-(6-(5-fluoro-2-(methylsulfonyl)phenyl)-2-(3-methylmorpholino)pyrimidin-4-yl)phenyl)urea
CAS: 1333108-58-9
CID: 53379556
Formula: C25H26F3N5O4S
MW: 549.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight549.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass549.16575999
Monoisotopic Mass549.16575999
Topological Polar Surface Area122 Ų
Heavy Atom Count38
Formal Charge0
Complexity887
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5780785CZ830

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