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DYRKi

CAT: 0931-T27226-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27226-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1640364-04-0
Target
Others, DYRK
Related Pathways
Cell Cycle/Checkpoint, Tyrosine Kinase/Adaptors, Others
Bioactivity
DYRKi is a nontoxic, DYRK1-selective inhibitor.
Smiles
N(C(=O)C=1N=C(SC1)C=2C=C3C(=CC2)OCC3)C=4NC=5C(N4)=CC=C(C(F)(F)F)C5
Molecular Formula
C20H13F3N4O2S
Molecular Weight
430.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DYRKi
CAS Number1640364-04-0
PubChem CID117795528
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.4
XLogP4.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity654
SMILES
C1COC2=C1C=C(C=C2)C3=NC(=CS3)C(=O)NC4=NC5=C(N4)C=C(C=C5)C(F)(F)F
InChI
InChI=1S/C20H13F3N4O2S/c21-20(22,23)12-2-3-13-14(8-12)26-19(25-13)27-17(28)15-9-30-18(24-15)11-1-4-16-10(7-11)5-6-29-16/h1-4,7-9H,5-6H2,(H2,25,26,27,28)
InChIKey
IINDNGLKYISGRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DYRKi
CAS: 1640364-04-0
CID: 117795528
Formula: C20H13F3N4O2S
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass430.07113133
Monoisotopic Mass430.07113133
Topological Polar Surface Area108 Ų
Heavy Atom Count30
Formal Charge0
Complexity654
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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