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MK8745

CAT: 0013-GTR19159287-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159287-01Size:100 mg
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Description
MK-8745 is a potent and selective Aurora A inhibitor.
CAS Number
885325-71-3
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 34 mg/mL; 78.72 mM
Smiles
C1CN (CCN1Cc1nc (ccc1) Nc1nccs1) C (=O) c1c (c (ccc1) Cl) F
Molecular Formula
C20H19ClFN5OS
Molecular Weight
431.91
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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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