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EMI1

CAT: 0931-T61016-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T61016-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35773-42-3
Target
EGFR
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, JAK/STAT signaling
Purity
>99.99%
Bioactivity
EMI1 can be used in the mutant EGFR-associated, drug-resistant non-small-cell lung cancer (NSCLC) research. EMI1 is an inhibitor of EGFR L858R/T790M/C797S and EGFR ex19del/T790M/C797S [1].
Smiles
CCN(CC)C1=CC2=C(C=C1)C=C(C1=NC3=C(O1)C=CC=C3)C(=O)O2
Molecular Formula
C20H18N2O3
Molecular Weight
334.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CAS Number35773-42-3
PubChem CID118870
IUPAC Name3-(1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one
Molecular FormulaC20H18N2O3
Molecular Weight334.4
XLogP4.3
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity531
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3
InChIKey
UJOQSHCJYVRZKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CAS: 35773-42-3
CID: 118870
Formula: C20H18N2O3
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass334.13174244
Monoisotopic Mass334.13174244
Topological Polar Surface Area55.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity531
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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