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DDO-3733

CAT: 0931-T200216-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200216-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2923531-63-7
Target
Phosphatase
Related Pathways
Metabolism
Bioactivity
DDO-3733 is a conformational activator of Protein Phosphatase 5 (PP5) that functions independently of TRP, facilitating the dephosphorylation of downstream substrates.
Smiles
FC=1C=C(F)C=2C=C(C(=S)N)C(=N)OC2C1
Molecular Formula
C10H6F2N2OS
Molecular Weight
240.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,7-Difluoro-2-iminochromene-3-carbothioamide
CAS Number2923531-63-7
PubChem CID172638565
IUPAC Name5,7-difluoro-2-iminochromene-3-carbothioamide
Molecular FormulaC10H6F2N2OS
Molecular Weight240.23
XLogP1.9
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity372
SMILES
C1=C(C=C(C2=C1OC(=N)C(=C2)C(=S)N)F)F
InChI
InChI=1S/C10H6F2N2OS/c11-4-1-7(12)5-3-6(10(14)16)9(13)15-8(5)2-4/h1-3,13H,(H2,14,16)
InChIKey
OYMWETSFXGNNJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Difluoro-2-iminochromene-3-carbothioamide
CAS: 2923531-63-7
CID: 172638565
Formula: C10H6F2N2OS
MW: 240.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.23
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass240.01689032
Monoisotopic Mass240.01689032
Topological Polar Surface Area91.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity372
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