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P7-2104

CAT: 0013-GTR19273122-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273122-02Size:50 mg
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Description
P7-2104 is an inhibitor of cyclic nucleotide phosphodiesterase 7 (PDE7) with an IC50 of 31 nM. It can be labeled with C-11 for use in PET neuroimaging studies.
CAS Number
460346-02-5
Smiles
O=C1NC=2C (Cl) =CC=C (OC) C2C3 (N1) CCCCC3
Molecular Formula
C14H17ClN2O2
Molecular Weight
280.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8'-Chloro-5'-methoxy-1'H-spiro[cyclohexane-1,4'-quinazolin]-2'(3'H)-one
CAS Number460346-02-5
PubChem CID9965532
IUPAC Name8-chloro-5-methoxyspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75
XLogP2.7
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity357
SMILES
COC1=C2C(=C(C=C1)Cl)NC(=O)NC23CCCCC3
InChI
InChI=1S/C14H17ClN2O2/c1-19-10-6-5-9(15)12-11(10)14(17-13(18)16-12)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H2,16,17,18)
InChIKey
CVJGVQVPEASPCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8'-Chloro-5'-methoxy-1'H-spiro[cyclohexane-1,4'-quinazolin]-2'(3'H)-one
CAS: 460346-02-5
CID: 9965532
Formula: C14H17ClN2O2
MW: 280.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.75
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass280.0978555
Monoisotopic Mass280.0978555
Topological Polar Surface Area50.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity357
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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