Products for Research Use Only

C-176

CAT: 0931-T5154-05Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T5154-05Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
314054-00-7
Target
STING
Related Pathways
Immunology/Inflammation
Purity
0.9997
Bioactivity
C-176 (STING inhibitor 1) is a STING inhibitor with selectivity and blood-brain barrier permeability. C-176 inhibits STING-mediated IFNβ production and possesses anti-inflammatory activity.
Smiles
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(I)cc1
Molecular Formula
C11H7IN2O4
Molecular Weight
358.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-iodophenyl)-5-nitrofuran-2-carboxamide
CAS Number314054-00-7
PubChem CID1103958
IUPAC NameN-(4-iodophenyl)-5-nitrofuran-2-carboxamide
Molecular FormulaC11H7IN2O4
Molecular Weight358.09
XLogP3
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity325
SMILES
C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])I
InChI
InChI=1S/C11H7IN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKey
JBIKQXOZLBLMKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-iodophenyl)-5-nitrofuran-2-carboxamide
CAS: 314054-00-7
CID: 1103958
Formula: C11H7IN2O4
MW: 358.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.09
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass357.94505
Monoisotopic Mass357.94505
Topological Polar Surface Area88.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity325
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