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5J-4

CAT: 0931-T24984-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24984-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
827001-82-1
Target
Calcium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel
Purity
0.9612
Bioactivity
5J-4 is a potent a blocker of calcium release-activated calcium (CRAC) channel and store-operated calcium entry (SOCE) . 5J-4 reduces the production of IL-17 and decreases the expression of RORα and RORγt.
Smiles
OC1=CC=C2C(NC(=S)NC(=O)C3=CC=CO3)=CC=CC2=C1
Molecular Formula
C16H12N2O3S
Molecular Weight
312.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CAS Number827001-82-1
PubChem CID2968289
IUPAC NameN-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
Molecular FormulaC16H12N2O3S
Molecular Weight312.3
XLogP3.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity432
SMILES
C1=CC2=C(C=CC(=C2)O)C(=C1)NC(=S)NC(=O)C3=CC=CO3
InChI
InChI=1S/C16H12N2O3S/c19-11-6-7-12-10(9-11)3-1-4-13(12)17-16(22)18-15(20)14-5-2-8-21-14/h1-9,19H,(H2,17,18,20,22)
InChIKey
WMUSJLJASFXGHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CAS: 827001-82-1
CID: 2968289
Formula: C16H12N2O3S
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass312.05686342
Monoisotopic Mass312.05686342
Topological Polar Surface Area107 Ų
Heavy Atom Count22
Formal Charge0
Complexity432
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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