Products for Research Use Only

PDE2/PDE10-IN-1

CAT: 0013-GTR19205183-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205183-01Size:25 mg
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Description
PDE2/PDE10-IN-1
CAS Number
1426833-08-0
Field of Research
Metabolism Research, Signal Transduction
Smiles
Cc1nc2ccncc2n2c (nnc12) -c1ccccc1Cl
Molecular Formula
C15H10ClN5
Molecular Weight
295.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pde2/pde10-IN-1
CAS Number1426833-08-0
PubChem CID71295299
IUPAC Name3-(2-chlorophenyl)-7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Molecular FormulaC15H10ClN5
Molecular Weight295.72
XLogP3.2
Topological Polar Surface Area56
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity381
SMILES
CC1=NC2=C(C=NC=C2)N3C1=NN=C3C4=CC=CC=C4Cl
InChI
InChI=1S/C15H10ClN5/c1-9-14-19-20-15(10-4-2-3-5-11(10)16)21(14)13-8-17-7-6-12(13)18-9/h2-8H,1H3
InChIKey
SNQXTEAQGLZIDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pde2/pde10-IN-1
CAS: 1426833-08-0
CID: 71295299
Formula: C15H10ClN5
MW: 295.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight295.72
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass295.0624730
Monoisotopic Mass295.0624730
Topological Polar Surface Area56 Ų
Heavy Atom Count21
Formal Charge0
Complexity381
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