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Inhibitors/Agonists
Stem Cells/Wnt
Casein Kinase
D4476
Inhibitors/Agonists
Stem Cells/Wnt
Cell Cycle DNA Damage
Casein Kinase

[ CAS No. 301836-43-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 301836-43-1
Chemical Structure| 301836-43-1
Structure of 301836-43-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 301836-43-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 301836-43-1 ]

SDS Specification
Alternatived Products of [ 301836-43-1 ]

Product Details of [ 301836-43-1 ]

CAS No. :301836-43-1 MDL No. :MFCD09037526
Formula : C23H18N4O3 Boiling Point : -
Linear Structure Formula :- InChI Key :DPDZHVCKYBCJHW-UHFFFAOYSA-N
M.W : 398.41 Pubchem ID :6419753
Synonyms :
Casein Kinase I Inhibitor
Chemical Name :4-(4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide

Calculated chemistry of [ 301836-43-1 ]

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 23
Fraction Csp3 : 0.09
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 111.66
TPSA : 103.12 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.88 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.67
Log Po/w (XLOGP3) : 2.61
Log Po/w (WLOGP) : 3.68
Log Po/w (MLOGP) : 1.35
Log Po/w (SILICOS-IT) : 4.27
Consensus Log Po/w : 2.91

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.26
Solubility : 0.022 mg/ml ; 0.0000552 mol/l
Class : Moderately soluble
Log S (Ali) : -4.43
Solubility : 0.015 mg/ml ; 0.0000376 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.96
Solubility : 0.00000438 mg/ml ; 0.000000011 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.38

Safety of [ 301836-43-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H320-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 301836-43-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 301836-43-1 ]

[ 301836-43-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 301836-42-0 ]
  • [ 301836-43-1 ]
Reference： [1] Patent: US6465493, 2002, B1,
  • 2
  • [ 301836-65-7 ]
  • [ 301836-43-1 ]
Reference： [1] Patent: US6465493, 2002, B1,
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Casein Kinase
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Casein Kinase
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Casein Kinase
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