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EGFR-IN-8

CAT: 0013-GTR19176753-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176753-02Size:5 mg
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Description
EGFR-IN-8
CAS Number
2407957-87-1
Product Name Alternative
C-Met/HGFR, cMet/HGFR, c-Met, cMet, inhibit, Epidermal growth factor receptor, ErbB-1, EGFRIN8, EGFR-IN-8, EGFR IN 8, EGFR, Inhibitor, HER1, HGFR
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Purity
97.45% (May vary between batches)
Solubility
DMSO:< 1 mg/mL (insoluble or slightly soluble)
Smiles
FC (F) (F) c1cc (NC (=O) Nc2cccc (c2) -c2nc (no2) -c2ccc (NC (=O) c3cccnc3) cc2Cl) ccc1NC (=O) C1CC1
Molecular Formula
C32H23ClF3N7O4
Molecular Weight
662.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Egfr-IN-8
CAS Number2407957-87-1
PubChem CID139035057
IUPAC NameN-[3-chloro-4-[5-[3-[[4-(cyclopropanecarbonylamino)-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
Molecular FormulaC32H23ClF3N7O4
Molecular Weight662.0
XLogP4.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1120
SMILES
C1CC1C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C4=NC(=NO4)C5=C(C=C(C=C5)NC(=O)C6=CN=CC=C6)Cl)C(F)(F)F
InChI
InChI=1S/C32H23ClF3N7O4/c33-25-15-22(38-29(45)19-4-2-12-37-16-19)8-10-23(25)27-42-30(47-43-27)18-3-1-5-20(13-18)39-31(46)40-21-9-11-26(24(14-21)32(34,35)36)41-28(44)17-6-7-17/h1-5,8-17H,6-7H2,(H,38,45)(H,41,44)(H2,39,40,46)
InChIKey
IIUNSVLRVWGJRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-8
CAS: 2407957-87-1
CID: 139035057
Formula: C32H23ClF3N7O4
MW: 662.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.0
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass661.1452144
Monoisotopic Mass661.1452144
Topological Polar Surface Area151 Ų
Heavy Atom Count47
Formal Charge0
Complexity1120
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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