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AVE-8063

CAT: 0931-T71924-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71924-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162705-07-9
Target
Others
Related Pathways
Others
Bioactivity
AVE-8063 is an antimitotic agent or microtubule inhibitor with potential anticancer activity.
Smiles
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1N
Molecular Formula
C18H21NO4
Molecular Weight
315.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AC-7739 free base

has both antivascular and antineoplastic activities; structure in first source

CAS Number162705-07-9
PubChem CID9796936
IUPAC Name2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
Molecular FormulaC18H21NO4
Molecular Weight315.4
XLogP3.4
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity362
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)N
InChI
InChI=1S/C18H21NO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,19H2,1-4H3/b6-5-
InChIKey
QSAMWSFELUCKOA-WAYWQWQTSA-N
Chemical Structure
2D Structure
2D structure of AC-7739 free base
CAS: 162705-07-9
CID: 9796936
Formula: C18H21NO4
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass315.14705815
Monoisotopic Mass315.14705815
Topological Polar Surface Area62.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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