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CZC 54252 Hydrochloride

CAT: 0013-GTR19206863-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206863-01Size:5 mg
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Description
LRRK2 inhibitor
CAS Number
1330003-04-7
Product Name Alternative
N-{2-[ (5-Chloro-2-{[2-methoxy-4- (4-morpholinyl) phenyl]amino}-4-pyrimidinyl) amino]phenyl}methanesulfonamide hydrochloride
Source
Synthetic
Purity
>98%
Form
Yellow solid
Solubility
Soluble to 100 mM in DMSO
Smiles
COC1=C (C=CC (=C1) N2CCOCC2) NC3=NC=C (C (=N3) NC4=CC=CC=C4NS (=O) (=O) C) Cl.Cl
Molecular Formula
C22H26Cl2N6O4S
Molecular Weight
541.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CZC-25146 hydrochloride
CAS Number1330003-04-7
PubChem CID72193880
IUPAC NameN-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide;hydrochloride
Molecular FormulaC22H26ClFN6O4S
Molecular Weight525.0
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity737
SMILES
COC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)F.Cl
InChI
InChI=1S/C22H25FN6O4S.ClH/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31;/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27);1H
InChIKey
SKYQTYQDKAOHLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CZC-25146 hydrochloride
CAS: 1330003-04-7
CID: 72193880
Formula: C22H26ClFN6O4S
MW: 525.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass524.1408804
Monoisotopic Mass524.1408804
Topological Polar Surface Area126 Ų
Heavy Atom Count35
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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