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ZX-29

CAT: 0607-BA3221-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3221-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2254805-62-2
Form
A solid
Molecular Formula
C23H28ClN7O3S
Molecular Weight
518.03
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

N-(2-((5-Chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)methanesulfonamide
CAS Number2254805-62-2
PubChem CID142497299
IUPAC NameN-[2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
Molecular FormulaC23H28ClN7O3S
Molecular Weight518.0
XLogP3.5
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity765
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)Cl)OC
InChI
InChI=1S/C23H28ClN7O3S/c1-30-10-12-31(13-11-30)16-8-9-20(21(14-16)34-2)27-23-25-15-17(24)22(28-23)26-18-6-4-5-7-19(18)29-35(3,32)33/h4-9,14-15,29H,10-13H2,1-3H3,(H2,25,26,27,28)
InChIKey
ATHZZWBANOJUOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((5-Chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)methanesulfonamide
CAS: 2254805-62-2
CID: 142497299
Formula: C23H28ClN7O3S
MW: 518.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.0
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass517.1662866
Monoisotopic Mass517.1662866
Topological Polar Surface Area120 Ų
Heavy Atom Count35
Formal Charge0
Complexity765
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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