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EGFR/HER2/CDK9-IN-3

CAT: 0607-C8542-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0607-C8542-250Size:250 mg
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CAS Number
422276-47-9
Molecular Formula
C24H21N3O4S2
Molecular Weight
479.57
Storage Conditions
Store at -20°C

Chemical Information

Egfr/her2/cdk9-IN-3
CAS Number422276-47-9
PubChem CID4346688
IUPAC Name4-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]benzenesulfonamide
Molecular FormulaC24H21N3O4S2
Molecular Weight479.6
XLogP3.8
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity840
SMILES
C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C24H21N3O4S2/c25-33(30,31)19-12-10-17(11-13-19)14-15-27-23(29)20-8-4-5-9-21(20)26-24(27)32-16-22(28)18-6-2-1-3-7-18/h1-13H,14-16H2,(H2,25,30,31)
InChIKey
ZTSOUXIIJZKOEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr/her2/cdk9-IN-3
CAS: 422276-47-9
CID: 4346688
Formula: C24H21N3O4S2
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass479.09734851
Monoisotopic Mass479.09734851
Topological Polar Surface Area144 Ų
Heavy Atom Count33
Formal Charge0
Complexity840
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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C8543-100EGFR/HER2/CDK9-IN-1
C8544-50EGFR/HER2/CDK9-IN-2
C8544-250EGFR/HER2/CDK9-IN-2
BA6340-25EGFR-IN-3
BA6340-50EGFR-IN-3
BA6340-5EGFR-IN-3
BA6340-100EGFR-IN-3

Alternative Products

CatalogName
T63161-01EGFR/HER2/CDK9-IN-3
MBS5805425EGFR/HER2/CDK9-IN-1
T63357-01EGFR/HER2/CDK9-IN-2
HY-115952EGFR/HER2-IN-3
T82492-01EGFR/HER2/DHFR-IN-3
HY-174841EGFR/HER2-IN-19
HY-174414EGFR/HER2-IN-18
HY-172623EGFR/HER2-IN-17
HY-161602EGFR/HER2-IN-13
T88221-01EGFR/HER2-IN-14

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