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EMI48

CAT: 0931-T61179-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T61179-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34564-13-1
Target
EGFR, Others
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Others, JAK/STAT signaling
Bioactivity
EMI48, a derivative of EMI1, exhibits increased efficacy against mutant EGFR compared to EMI1. It specifically inhibits EGFR triple mutants [1].
Smiles
CCN(CC)c1ccc2cc(-c3nc4cc(C)ccc4o3)c(=O)oc2c1
Molecular Formula
C21H20N2O3
Molecular Weight
348.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-(Diethylamino)-3-(5-methylbenzoxazol-2-yl)-2-benzopyrone
CAS Number34564-13-1
PubChem CID15538560
IUPAC Name7-(diethylamino)-3-(5-methyl-1,3-benzoxazol-2-yl)chromen-2-one
Molecular FormulaC21H20N2O3
Molecular Weight348.4
XLogP4.6
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity559
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)C
InChI
InChI=1S/C21H20N2O3/c1-4-23(5-2)15-8-7-14-11-16(21(24)26-19(14)12-15)20-22-17-10-13(3)6-9-18(17)25-20/h6-12H,4-5H2,1-3H3
InChIKey
PTAGJQADNFQMGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(Diethylamino)-3-(5-methylbenzoxazol-2-yl)-2-benzopyrone
CAS: 34564-13-1
CID: 15538560
Formula: C21H20N2O3
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass348.14739250
Monoisotopic Mass348.14739250
Topological Polar Surface Area55.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity559
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

Alternative Products

CatalogName
BA6388-5EMI48

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