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AAL1

CAT: 0931-T71735-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71735-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868215-90-1
Target
Others
Related Pathways
Others
Bioactivity
AAL1 is an inhibitor of dark-grown Arabidopsis thaliana seedlings, functioning through auxin receptor Transport Inhibitor Response1 (TIR1) and depending on auxin influx and efflux carriers.
Smiles
CCC1=CC=C(NC(=O)CN2C(=O)CSC(C)C2=O)C=C1
Molecular Formula
C15H18N2O3S
Molecular Weight
306.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-ethylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CAS Number868215-90-1
PubChem CID4110715
IUPAC NameN-(4-ethylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
Molecular FormulaC15H18N2O3S
Molecular Weight306.4
XLogP2.1
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity419
SMILES
CCC1=CC=C(C=C1)NC(=O)CN2C(=O)CSC(C2=O)C
InChI
InChI=1S/C15H18N2O3S/c1-3-11-4-6-12(7-5-11)16-13(18)8-17-14(19)9-21-10(2)15(17)20/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKey
RPOCQUTXCSLYFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-ethylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CAS: 868215-90-1
CID: 4110715
Formula: C15H18N2O3S
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass306.10381361
Monoisotopic Mass306.10381361
Topological Polar Surface Area91.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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