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Chalcone 4 hydrate

CAT: 1410-M10740-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M10740-02Size:2 mg
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Description
Chalcone 4 hydrate is a potent, selective inhibitor of CXCL12 binding to CXCR4 and CXCR7 with IC50 of 200 nM.
CAS Number
1202866-96-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
306.74
Molecular Formula
C16H15ClO4
Notes
Research use only, not for human use.
Receptor
Chemokine Receptor

Chemical Information

(2E)-1-(4-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one--water (1/1)
CAS Number1202866-96-3
PubChem CID71311831
IUPAC Name(E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one;hydrate
Molecular FormulaC16H15ClO4
Molecular Weight306.74
Topological Polar Surface Area47.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity348
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)O.O
InChI
InChI=1S/C16H13ClO3.H2O/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12;/h2-10,19H,1H3;1H2/b8-2+;
InChIKey
PXVQKTVKTBMRIW-VOKCZWNHSA-N
Chemical Structure
2D Structure
2D structure of (2E)-1-(4-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one--water (1/1)
CAS: 1202866-96-3
CID: 71311831
Formula: C16H15ClO4
MW: 306.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass306.0658866
Monoisotopic Mass306.0658866
Topological Polar Surface Area47.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CYB86696-01Chalcone 4 hydrate
MBS5766334Chalcone 4 (hydrate)
A18920-100Chalcone 4 hydrate 100mg
A18920-50Chalcone 4 hydrate 50mg
A18920-1Chalcone 4 hydrate 1mg
A18920-500Chalcone 4 hydrate 500mg
A18920-25Chalcone 4 hydrate 25mg
A18920-10Chalcone 4 hydrate 10mg
A18920-5Chalcone 4 hydrate 5mg
A18920-2Chalcone 4 hydrate 2mg

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