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JCN037

CAT: 0931-T8431-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8431-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2305154-31-6
Target
EGFR
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, JAK/STAT signaling
Purity
>99.99%
Bioactivity
JCN037 is potent, non-covalent and brain-penetrant inhibitor of EGFR (EGFR, p-wtEGFR and pEGFRvIII with IC50 of 2.49 nM, 3.95 nM, 4.48 nM , respectively) .
Smiles
Fc1c(Br)cccc1Nc1ncnc2cc3OCCOc3cc12
Molecular Formula
C16H11BrFN3O2
Molecular Weight
376.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-Bromo-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CAS Number2305154-31-6
PubChem CID138513760
IUPAC NameN-(3-bromo-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.18
XLogP3.9
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity419
SMILES
C1COC2=C(O1)C=C3C(=C2)N=CN=C3NC4=C(C(=CC=C4)Br)F
InChI
InChI=1S/C16H11BrFN3O2/c17-10-2-1-3-11(15(10)18)21-16-9-6-13-14(23-5-4-22-13)7-12(9)19-8-20-16/h1-3,6-8H,4-5H2,(H,19,20,21)
InChIKey
MTLUFWWVOINWEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Bromo-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CAS: 2305154-31-6
CID: 138513760
Formula: C16H11BrFN3O2
MW: 376.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.18
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass375.00187
Monoisotopic Mass375.00187
Topological Polar Surface Area56.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity419
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
HY-136430-01JCN037

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