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PDE7 inhibitor S14

CAT: 0931-T24606-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24606-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18741-24-7
Target
Others, PDE
Related Pathways
Metabolism, Others
Bioactivity
PDE7 inhibitor S14 is a cell-permeable PDE7 inhibitor that acts by targeting the cyclic adenosine monophosphate (cAMP) /cAMP-response element-binding protein (CREB) pathway.
Smiles
O=C1N(C(=S)NC2=CC=CC=C12)C1=CC=CC=C1
Molecular Formula
C14H10N2OS
Molecular Weight
254.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Mercapto-3-phenylquinazolin-4(3H)-one
CAS Number18741-24-7
PubChem CID680914
IUPAC Name3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Molecular FormulaC14H10N2OS
Molecular Weight254.31
XLogP2.8
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity352
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S
InChI
InChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey
CRGOYNYLYMPGKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Mercapto-3-phenylquinazolin-4(3H)-one
CAS: 18741-24-7
CID: 680914
Formula: C14H10N2OS
MW: 254.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.31
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass254.05138412
Monoisotopic Mass254.05138412
Topological Polar Surface Area64.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity352
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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