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JFD00950

CAT: 0931-T68449-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68449-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
882278-66-2
Target
Others
Related Pathways
Others
Bioactivity
JFD00950 is a human flap endonuclease 1 (FEN1) inhibitor with in vitro inhibition of flap cleavage activity as well as cytotoxic activity against a colon cancer cell line, DLD-1.
Smiles
O=C1C=2C(C(=O)C(Cl)=C1OC3=C(Cl)C=C(Cl)C(Cl)=C3)=CC=CC2
Molecular Formula
C16H6Cl4O3
Molecular Weight
388.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Chloro-3-(2,4,5-trichlorophenoxy)naphthalene-1,4-dione
CAS Number882278-66-2
PubChem CID2817456
IUPAC Name2-chloro-3-(2,4,5-trichlorophenoxy)naphthalene-1,4-dione
Molecular FormulaC16H6Cl4O3
Molecular Weight388.0
XLogP5.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity547
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)OC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C16H6Cl4O3/c17-9-5-11(19)12(6-10(9)18)23-16-13(20)14(21)7-3-1-2-4-8(7)15(16)22/h1-6H
InChIKey
ZFBYNRLQXMCZPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-(2,4,5-trichlorophenoxy)naphthalene-1,4-dione
CAS: 882278-66-2
CID: 2817456
Formula: C16H6Cl4O3
MW: 388.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.0
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass387.904155
Monoisotopic Mass385.907105
Topological Polar Surface Area43.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity547
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
MBS5811010JFD00950

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