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MK-8745

CAT: 1568-C12416-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C12416-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
885325-71-3
SKU
C12416-10mg
Target
Aurora Kinase
Applications
Cell Cycle
Smiles
C1CN (CCN1CC2=NC (=CC=C2) NC3=NC=CS3) C (=O) C4=C (C (=CC=C4) Cl) F
Molecular Formula
C20 H19 Cl F N5 O S
Additionnal Information
MK-8745 is a potent and selective Aurora A inhibitor with IC50 of 0.6 nM, more than 450-fold selectivity for Aurora A over Aurora B.
Storage Conditions
2 years -80 in solvent

Chemical Information

(3-Chloro-2-fluorophenyl)(4-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)methanone
CAS Number885325-71-3
PubChem CID11676373
IUPAC Name(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone
Molecular FormulaC20H19ClFN5OS
Molecular Weight431.9
XLogP3.6
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity553
SMILES
C1CN(CCN1CC2=NC(=CC=C2)NC3=NC=CS3)C(=O)C4=C(C(=CC=C4)Cl)F
InChI
InChI=1S/C20H19ClFN5OS/c21-16-5-2-4-15(18(16)22)19(28)27-10-8-26(9-11-27)13-14-3-1-6-17(24-14)25-20-23-7-12-29-20/h1-7,12H,8-11,13H2,(H,23,24,25)
InChIKey
YCRFPWKUUNKNDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Chloro-2-fluorophenyl)(4-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)methanone
CAS: 885325-71-3
CID: 11676373
Formula: C20H19ClFN5OS
MW: 431.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.9
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass431.0982873
Monoisotopic Mass431.0982873
Topological Polar Surface Area89.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity553
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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