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DK-1-166

CAT: 0931-T31540-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T31540-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2204279-20-7
Target
Others
Related Pathways
Others
Bioactivity
DK-1-166 is a inducer of apoptotic cell death in TNBC cell lines without causing cytotoxicity in the normal mammary epithelial cell line.
Smiles
CC1(C)C=2C(=CC(C)=C(C(=C)C3=CC=C(C(NCCN(CC)CC)=O)C=C3)C2)C(C)(C)CC1
Molecular Formula
C30H42N2O
Molecular Weight
446.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-(diethylamino)ethyl]-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CAS Number2204279-20-7
PubChem CID145976535
IUPAC NameN-[2-(diethylamino)ethyl]-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
Molecular FormulaC30H42N2O
Molecular Weight446.7
XLogP8.1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity669
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)C(=C)C2=CC3=C(C=C2C)C(CCC3(C)C)(C)C
InChI
InChI=1S/C30H42N2O/c1-9-32(10-2)18-17-31-28(33)24-13-11-23(12-14-24)22(4)25-20-27-26(19-21(25)3)29(5,6)15-16-30(27,7)8/h11-14,19-20H,4,9-10,15-18H2,1-3,5-8H3,(H,31,33)
InChIKey
UIVSZXXQWMEQKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(diethylamino)ethyl]-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CAS: 2204279-20-7
CID: 145976535
Formula: C30H42N2O
MW: 446.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.7
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass446.329713967
Monoisotopic Mass446.329713967
Topological Polar Surface Area32.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity669
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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