ML-SI3

CAT: 0957-E0026-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0957-E0026-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

ML-SI3 is a potent TRPML channel inhibitor with IC50s of 4.7 μM and 1.7 μM for TRPML1 and TRPML2, respectively.

CAS Number

891016-02-7

Target

TRP Channel

Activity

Neuronal Signaling

Molecular Formula

C23H31N3O3S

Storage Conditions

3 years -20°C powder

Chemical Information

N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide

CAS Number	891016-02-7
PubChem CID	23604942
IUPAC Name	N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
Molecular Formula	C23H31N3O3S
Molecular Weight	429.6
XLogP	3.8
Topological Polar Surface Area	70.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	624

SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3

InChIKey

OVTXOMMQHRIKGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 891016-02-7

CID: 23604942

Formula: C23H31N3O3S

MW: 429.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	429.6
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	429.20861303
Monoisotopic Mass	429.20861303
Topological Polar Surface Area	70.3 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	624
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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ML-SI3

Chemical Information

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