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CCT244747

CAT: 0607-B5880-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B5880-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potent and selective CHK1 inhibitor
CAS Number
1404095-34-6
Product Name Alternative
(R)-3-((1-(dimethylamino)propan-2-yl)oxy)-5-((4-methoxy-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)amino)pyrazine-2-carbonitrile
Field of Research
Cell Cycle Checkpoint Chk
Purity
0.98
Solubility
Soluble in DMSO
Smiles
C[C@](OC1=NC(NC(C=C2OC)=NC=C2C(C=N3)=CN3C)=CN=C1C#N)([H])CN(C)C
Molecular Formula
C20H24N8O2
Molecular Weight
408.46
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cct244747
CAS Number1404095-34-6
PubChem CID54758482
IUPAC Name3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
Molecular FormulaC20H24N8O2
Molecular Weight408.5
XLogP1.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity584
SMILES
C[C@H](CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C(C(=C2)OC)C3=CN(N=C3)C
InChI
InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1
InChIKey
IENLGMOXAQMNEH-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Cct244747
CAS: 1404095-34-6
CID: 54758482
Formula: C20H24N8O2
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass408.20222204
Monoisotopic Mass408.20222204
Topological Polar Surface Area114 Ų
Heavy Atom Count30
Formal Charge0
Complexity584
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

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