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ML358

CAT: 0931-T25820-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25820-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1158607-44-3
Target
Others
Related Pathways
Others
Bioactivity
ML358 is a selective SKN-1 pathway inhibitor involved in drug detoxification and resistance in nematodes.
Smiles
Cl.ClC1=CC=C(C=C1)COC2=C(Cl)C=C(C=C2OCC)CNC3CCCC3
Molecular Formula
C21H26Cl3NO2
Molecular Weight
430.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-chloro-4-((4-chlorobenzyl)oxy)-5-ethoxybenzyl)cyclopentanamine hydrochloride
CAS Number1158607-44-3
PubChem CID17289730
IUPAC NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
Molecular FormulaC21H26Cl3NO2
Molecular Weight430.8
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity397
SMILES
CCOC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C21H25Cl2NO2.ClH/c1-2-25-20-12-16(13-24-18-5-3-4-6-18)11-19(23)21(20)26-14-15-7-9-17(22)10-8-15;/h7-12,18,24H,2-6,13-14H2,1H3;1H
InChIKey
ZAMVVVGRBNNUSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-chloro-4-((4-chlorobenzyl)oxy)-5-ethoxybenzyl)cyclopentanamine hydrochloride
CAS: 1158607-44-3
CID: 17289730
Formula: C21H26Cl3NO2
MW: 430.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass429.102912
Monoisotopic Mass429.102912
Topological Polar Surface Area30.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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