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ML-SI1

CAT: 0931-T62692-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62692-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2736203-57-7
Target
Others, TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
ML-SI1, a racemic mixture of diastereoisomers, is a TRPML inhibitor with an IC50 of 15 μM acting on TRPML1.
Smiles
COC1=CC=C(N(C(C2=C(Cl)C(Cl)=CC=C2)=O)C(C)C3CCN4CCOCC4)C3=C1
Molecular Formula
C23H26Cl2N2O3
Molecular Weight
449.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-indole
CAS Number2736203-57-7
PubChem CID164626348
IUPAC Name(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.4
XLogP4.4
Topological Polar Surface Area42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity589
SMILES
CC1C(C2=C(N1C(=O)C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)OC)CCN4CCOCC4
InChI
InChI=1S/C23H26Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14-15,17H,8-13H2,1-2H3
InChIKey
RBNMBONHKHXEKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-indole
CAS: 2736203-57-7
CID: 164626348
Formula: C23H26Cl2N2O3
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass448.1320481
Monoisotopic Mass448.1320481
Topological Polar Surface Area42 Ų
Heavy Atom Count30
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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