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Tozasertib

CAT: 0013-GTR19173801-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173801-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tozasertib
CAS Number
639089-54-6
Product Name Alternative
VX-680; MK-0457
Field of Research
Cell Biology
Purity
>98%
Bioactivity
Aurora kinase inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 100 mg/ml) .
Smiles
CN1CCN (CC1) c1cc (Nc2cc (C) [nH]n2) nc (Sc2ccc (NC (=O) C3CC3) cc2) n1
Molecular Formula
C23H28N8OS
Molecular Weight
464.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tozasertib

N-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide is a N-arylpiperazine.

CAS Number639089-54-6
PubChem CID5494449
IUPAC NameN-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
Molecular FormulaC23H28N8OS
Molecular Weight464.6
XLogP3.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity650
SMILES
CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C
InChI
InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
InChIKey
GCIKSSRWRFVXBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tozasertib
CAS: 639089-54-6
CID: 5494449
Formula: C23H28N8OS
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass464.21067872
Monoisotopic Mass464.21067872
Topological Polar Surface Area127 Ų
Heavy Atom Count33
Formal Charge0
Complexity650
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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