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D-159404

CAT: 0013-GTR19242769-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242769-02Size:50 mg
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Description
D-159404 is a novel allosteric PDE4 inhibitor with enhanced activity against the full-length PDE4D3 isoform and superior cellular potency compared to classic competitive inhibitors. This profile makes it a valuable research tool for investigating cAMP signaling in disease models, both in vitro and in vivo.
CAS Number
1158221-32-9
Smiles
O=C (N) NC1=CC=C (C=C1) CC=2C=CC (OC) =C (C3=CC=CC (Cl) =C3) C2F
Molecular Formula
C21H18ClFN2O2
Molecular Weight
384.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-phenyl]-urea
CAS Number1158221-32-9
PubChem CID46213059
IUPAC Name[4-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]phenyl]urea
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.8
XLogP4.8
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity487
SMILES
COC1=C(C(=C(C=C1)CC2=CC=C(C=C2)NC(=O)N)F)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H18ClFN2O2/c1-27-18-10-7-15(11-13-5-8-17(9-6-13)25-21(24)26)20(23)19(18)14-3-2-4-16(22)12-14/h2-10,12H,11H2,1H3,(H3,24,25,26)
InChIKey
YHCWLRRVAOFFFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-phenyl]-urea
CAS: 1158221-32-9
CID: 46213059
Formula: C21H18ClFN2O2
MW: 384.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.8
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass384.1040837
Monoisotopic Mass384.1040837
Topological Polar Surface Area64.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity487
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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