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YKL-05-099

CAT: 0607-BA6249-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6249-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1936529-65-5
Form
A solid
Molecular Formula
C32H34ClN7O3
Molecular Weight
600.11
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

3-(2-chloro-6-methylphenyl)-7-(2-methoxy-4-(1-methylpiperidin-4-yl)anilino)-1-(5-methoxypyridin-2-yl)-4H-pyrimido(4,5-d)pyrimidin-2-one
CAS Number1936529-65-5
PubChem CID121596782
IUPAC Name3-(2-chloro-6-methylphenyl)-7-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
Molecular FormulaC32H34ClN7O3
Molecular Weight600.1
XLogP5.2
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity925
SMILES
CC1=C(C(=CC=C1)Cl)N2CC3=CN=C(N=C3N(C2=O)C4=NC=C(C=C4)OC)NC5=C(C=C(C=C5)C6CCN(CC6)C)OC
InChI
InChI=1S/C32H34ClN7O3/c1-20-6-5-7-25(33)29(20)39-19-23-17-35-31(37-30(23)40(32(39)41)28-11-9-24(42-3)18-34-28)36-26-10-8-22(16-27(26)43-4)21-12-14-38(2)15-13-21/h5-11,16-18,21H,12-15,19H2,1-4H3,(H,35,36,37)
InChIKey
VQINULODWGEVBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-chloro-6-methylphenyl)-7-(2-methoxy-4-(1-methylpiperidin-4-yl)anilino)-1-(5-methoxypyridin-2-yl)-4H-pyrimido(4,5-d)pyrimidin-2-one
CAS: 1936529-65-5
CID: 121596782
Formula: C32H34ClN7O3
MW: 600.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.1
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass599.2411657
Monoisotopic Mass599.2411657
Topological Polar Surface Area96 Ų
Heavy Atom Count43
Formal Charge0
Complexity925
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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HY-101147-01YKL-05-099
A20553-50YKL-05-099 50mg
A20553-1YKL-05-099 1mg
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A20553-10YKL-05-099 10mg
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HY-101149YKL-05-093

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