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ML400

CAT: 1410-M34104-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34104-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML400 (CID73050863) is an allosteric inhibitor of LMPTP with an EC50 of 1μM. ML400 displays good cell-based activity and rodent pharmacokinetics.
CAS Number
1908414-42-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
375.51
Molecular Formula
C24H29N3O
Notes
Research use only, not for human use.
Receptor
Phosphatase

Chemical Information

2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CAS Number1908414-42-5
PubChem CID73050850
IUPAC Name2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
Molecular FormulaC24H29N3O
Molecular Weight375.5
XLogP5
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity445
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCCN4CCCCC4
InChI
InChI=1S/C24H29N3O/c1-28-20-12-10-19(11-13-20)23-18-24(21-8-3-4-9-22(21)26-23)25-14-7-17-27-15-5-2-6-16-27/h3-4,8-13,18H,2,5-7,14-17H2,1H3,(H,25,26)
InChIKey
CCEQOVGPLKQKET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CAS: 1908414-42-5
CID: 73050850
Formula: C24H29N3O
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass375.231062557
Monoisotopic Mass375.231062557
Topological Polar Surface Area37.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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