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CCTA-1523

CAT: 0931-T9587-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9587-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1616271-41-0
Target
BCRP, ABC Transporter
Related Pathways
Membrane transporter/Ion channel
Purity
0.9971
Bioactivity
CCTA-1523 is an efflux function of ABCG2 inhibitor. CCTA-1523 selectively reverses ABCG2-mediated MDR in cancer cells.
Smiles
O(C)C=1C=C(C=CC1OC)C2=CC(NC(C(Cl)Cl)=O)=CC=C2
Molecular Formula
C16H15Cl2NO3
Molecular Weight
340.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,2-dichloro-N-[3-(3,4-dimethoxyphenyl)phenyl]acetamide
CAS Number1616271-41-0
PubChem CID73438576
IUPAC Name2,2-dichloro-N-[3-(3,4-dimethoxyphenyl)phenyl]acetamide
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.2
XLogP4
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity367
SMILES
COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)C(Cl)Cl)OC
InChI
InChI=1S/C16H15Cl2NO3/c1-21-13-7-6-11(9-14(13)22-2)10-4-3-5-12(8-10)19-16(20)15(17)18/h3-9,15H,1-2H3,(H,19,20)
InChIKey
KVFQJGFFQSVTND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-dichloro-N-[3-(3,4-dimethoxyphenyl)phenyl]acetamide
CAS: 1616271-41-0
CID: 73438576
Formula: C16H15Cl2NO3
MW: 340.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass339.0428987
Monoisotopic Mass339.0428987
Topological Polar Surface Area47.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity367
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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