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CCT241533

CAT: 0931-T10718-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T10718-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1262849-73-9
Target
Chk
Related Pathways
Cell Cycle/Checkpoint
Bioactivity
CCT241533 is an effective and selective ATP competitive inhibitor of CHK2 (Ki: 1.16 nM; IC50: 3 nM) .
Smiles
N(C=1C2=C(N=C(N1)C3=C(O)C=CC(F)=C3)C=C(OC)C(OC)=C2)[C@H]4[C@H]([C@@](C)(C)O)CNC4
Molecular Formula
C23H27FN4O4
Molecular Weight
442.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cct-241533
CAS Number1262849-73-9
PubChem CID135564841
IUPAC Name4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxyquinazolin-2-yl]phenol
Molecular FormulaC23H27FN4O4
Molecular Weight442.5
XLogP3.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity629
SMILES
CC(C)([C@@H]1CNC[C@H]1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O
InChI
InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28)/t15-,17-/m1/s1
InChIKey
HZASIAXCPXTISQ-NVXWUHKLSA-N
Chemical Structure
2D Structure
2D structure of Cct-241533
CAS: 1262849-73-9
CID: 135564841
Formula: C23H27FN4O4
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass442.20163352
Monoisotopic Mass442.20163352
Topological Polar Surface Area109 Ų
Heavy Atom Count32
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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