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YM 976

CAT: 0607-B6870-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6870-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PDE4 inhibitor, orally active
CAS Number
191219-80-4
Product Name Alternative
4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one
Field of Research
Metabolism PDE
Purity
0.98
Form
Pale yellow solid
Solubility
<31.38mg/ml in ethanol; <31.38mg/ml in DMSO
Smiles
ClC1=CC(C2=NC(N(CC)C3=NC(CC)=CC=C32)=O)=CC=C1
Molecular Formula
C17H16ClN3O
Molecular Weight
313.79
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

YM-976

4-(3-chlorophenyl)-1,7-diethyl-2-pyrido[2,3-d]pyrimidinone is a member of pyrimidines.

CAS Number191219-80-4
PubChem CID6604918
IUPAC Name4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one
Molecular FormulaC17H16ClN3O
Molecular Weight313.8
XLogP4
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3
InChIKey
MNHXYNNKDDXKNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YM-976
CAS: 191219-80-4
CID: 6604918
Formula: C17H16ClN3O
MW: 313.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.8
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass313.0981898
Monoisotopic Mass313.0981898
Topological Polar Surface Area45.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
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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