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2,3-DCPE

CAT: 0931-T22490-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T22490-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
418788-90-6
Target
Others, Apoptosis
Related Pathways
Others, Apoptosis
Bioactivity
Induces p21 expression and S-phase arrest in cancer cells via ERK-mediated pathways. IC50 values are 0.89 and 12.6 μM for LoVo human colon cancer cell line and normal human fibroblasts respectively.
Smiles
OCCNCCCOC1=C(Cl)C(Cl)=CC=C1
Molecular Formula
C11H15Cl2NO2
Molecular Weight
264.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(2,3-Dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
CAS Number418788-90-6
PubChem CID2250974
IUPAC Name3-(2,3-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
Molecular FormulaC11H16Cl2NO2+
Molecular Weight265.15
XLogP2.4
Topological Polar Surface Area46.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge1
Complexity183
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OCCC[NH2+]CCO
InChI
InChI=1S/C11H15Cl2NO2/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15/h1,3-4,14-15H,2,5-8H2/p+1
InChIKey
QVEIRCZEBQRCTR-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of 3-(2,3-Dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
CAS: 418788-90-6
CID: 2250974
Formula: C11H16Cl2NO2+
MW: 265.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.15
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass264.0558091
Monoisotopic Mass264.0558091
Topological Polar Surface Area46.1 Ų
Heavy Atom Count16
Formal Charge1
Complexity183
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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