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D4476

CAT: 0607-A3342-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A3342-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CK1/ALK5 inhibitor,specific and cell permeable
CAS Number
301836-43-1
Product Name Alternative
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide
Sequence
Casein Kinase I Inhibitor;D 4476;D-4476
Field of Research
Stem Cell CK1
Purity
0.9922
Form
A solid
Solubility
insoluble in H2O; ≥19.9 mg/mL in DMSO; ≥41.5 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5
Molecular Formula
C23H18N4O3
Molecular Weight
398.41
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-(4-(2,3-dihydrobenzo(1,4)dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide

4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzamide is a member of imidazoles.

CAS Number301836-43-1
PubChem CID6419753
IUPAC Name4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide
Molecular FormulaC23H18N4O3
Molecular Weight398.4
XLogP2.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity597
SMILES
C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5
InChI
InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
InChIKey
DPDZHVCKYBCJHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(2,3-dihydrobenzo(1,4)dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide
CAS: 301836-43-1
CID: 6419753
Formula: C23H18N4O3
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass398.13789045
Monoisotopic Mass398.13789045
Topological Polar Surface Area103 Ų
Heavy Atom Count30
Formal Charge0
Complexity597
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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CatalogName
1770-1D4476
A13949-500D4476 500mg
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A13949-1D4476 1mg
A13949-5D4476 5mg
A13949-200D4476 200mg
A13949-100D4476 100mg
A13949-50D4476 50mg
A13949-25D4476 25mg
A13949-10D4476 10mg

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