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EGFR ligand-14

CAT: 0931-T212305-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T212305-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1792968-00-3
Target
Ligands for Target Protein for PROTAC, EGFR
Related Pathways
PROTAC, Tyrosine Kinase/Adaptors, Angiogenesis, JAK/STAT signaling
Bioactivity
EGFRligand-14 serves as an EGFR ligand and is utilized in the synthesis of SJF-1521.
Smiles
FC1=CC=CC(=C1)COC2=CC=C(C=C2Cl)NC3=NC=NC4=CC=C(C=C43)C=5C=CC=CC5
Molecular Formula
C27H19ClFN3O
Molecular Weight
455.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-phenylquinazolin-4-amine
CAS Number1792968-00-3
PubChem CID118370976
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-phenylquinazolin-4-amine
Molecular FormulaC27H19ClFN3O
Molecular Weight455.9
XLogP7.2
Topological Polar Surface Area47
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity606
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
InChI
InChI=1S/C27H19ClFN3O/c28-24-15-22(10-12-26(24)33-16-18-5-4-8-21(29)13-18)32-27-23-14-20(19-6-2-1-3-7-19)9-11-25(23)30-17-31-27/h1-15,17H,16H2,(H,30,31,32)
InChIKey
IDRCRUFPWMCBFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-phenylquinazolin-4-amine
CAS: 1792968-00-3
CID: 118370976
Formula: C27H19ClFN3O
MW: 455.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight455.9
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass455.1200681
Monoisotopic Mass455.1200681
Topological Polar Surface Area47 Ų
Heavy Atom Count33
Formal Charge0
Complexity606
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