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D159687

CAT: 0931-T5474-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T5474-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1155877-97-6
Target
PDE
Related Pathways
Metabolism
Purity
0.9757
Bioactivity
D159687 is a selective PDE4D inhibitor, had a procognitive profile as it improved memory in the novel object recognition test but had no antidepressant or anxiolytic benefit.
Smiles
COc1ccc(Cc2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1
Molecular Formula
C21H19ClN2O2
Molecular Weight
366.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

D-159687
CAS Number1155877-97-6
PubChem CID57703712
IUPAC Name[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]urea
Molecular FormulaC21H19ClN2O2
Molecular Weight366.8
XLogP4.7
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
COC1=C(C=C(C=C1)CC2=CC=C(C=C2)NC(=O)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H19ClN2O2/c1-26-20-10-7-15(12-19(20)16-3-2-4-17(22)13-16)11-14-5-8-18(9-6-14)24-21(23)25/h2-10,12-13H,11H2,1H3,(H3,23,24,25)
InChIKey
RJJLUTWHJUDZFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D-159687
CAS: 1155877-97-6
CID: 57703712
Formula: C21H19ClN2O2
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass366.1135055
Monoisotopic Mass366.1135055
Topological Polar Surface Area64.4 Ų
Heavy Atom Count26
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

Alternative Products

CatalogName
BA8163-50D159687
A21228-200D159687 200mg
A21228-25D159687 25mg
A21228-5D159687 5mg
A21228-100D159687 100mg
A21228-50D159687 50mg
A21228-10D159687 10mg
A21228-10mM-DD159687 10mM * 1mL in DMSO

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