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ML 315

CAT: 1410-M34876-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34876-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML 315 is a selective Clk and DYRK inhibitor with potential anticancer activity for the study of neurological disorders.
CAS Number
1440251-53-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
374.22
Molecular Formula
C18H13Cl2N3O2
Notes
Research use only, not for human use.
Receptor
DYRK | CDK

Chemical Information

ML315
CAS Number1440251-53-5
PubChem CID46926514
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-4-amine
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.2
XLogP4.7
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity435
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CN=CN=C3NCC4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
InChIKey
JQSJAVBMIMDUFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML315
CAS: 1440251-53-5
CID: 46926514
Formula: C18H13Cl2N3O2
MW: 374.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.2
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass373.0384821
Monoisotopic Mass373.0384821
Topological Polar Surface Area56.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity435
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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