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EGFR-IN-54

CAT: 0931-T62457-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62457-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2418549-30-9
Target
Others, EGFR
Related Pathways
Angiogenesis, JAK/STAT signaling, Tyrosine Kinase/Adaptors, Others
Bioactivity
EGFR-IN-54 (Compound 3c) is a potent EGFR inhibitor (IC50: 1.623 μM) with cytotoxicity against cancer cells.
Smiles
N(C(NC1=CC=C(S(NC2=NC=CS2)(=O)=O)C=C1)=S)C=3C=C4C(=CC3)OCO4
Molecular Formula
C17H14N4O4S3
Molecular Weight
434.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Egfr-IN-54
CAS Number2418549-30-9
PubChem CID162677080
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
Molecular FormulaC17H14N4O4S3
Molecular Weight434.5
XLogP1.7
Topological Polar Surface Area170
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity651
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C17H14N4O4S3/c22-28(23,21-17-18-7-8-27-17)13-4-1-11(2-5-13)19-16(26)20-12-3-6-14-15(9-12)25-10-24-14/h1-9H,10H2,(H,18,21)(H2,19,20,26)
InChIKey
AKJZGCUHFBZJNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-54
CAS: 2418549-30-9
CID: 162677080
Formula: C17H14N4O4S3
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass434.01771846
Monoisotopic Mass434.01771846
Topological Polar Surface Area170 Ų
Heavy Atom Count28
Formal Charge0
Complexity651
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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Alternative Products

CatalogName
GTR19186144-01EGFR-IN-54
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GTR18890855Human Kisspeptin-54 (27-54) peptide
PE-89212-01Kisspeptin-54 (27-54) (Human) Peptide
GTR1802695054 Antibody
HY-112376-01MZP-54
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