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ML 315

CAT: 0013-GTR19191214-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191214-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML 315 hydrochloride
CAS Number
1440251-53-5
Product Name Alternative
DYRK, CLK, ML315 Hydrochloride, ML-315 Hydrochloride
Field of Research
Cell Biology, Signal Transduction
Purity
99.08% (May vary between batches)
Solubility
DMSO:Soluble
Smiles
ClC=1C=C (Cl) C=C (C1) CNC=2N=CN=CC2C3=CC=C4OCOC4=C3
Molecular Formula
C18H13Cl2N3O2
Molecular Weight
374.22
Storage Conditions
-20°C
Notes
For research use only.

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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