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Nurr1 agonist 4

CAT: 0931-T78088-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78088-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87645-58-7
Target
Others, NR4A
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
Nurr1 agonist 4 (compound 8) is a potent Nurr1 agonist with an EC50 value of 2.1 μM [1].
Smiles
O=C(O)C1=COC(=C1)C=2C=CC(OC)=CC2
Molecular Formula
C12H10O4
Molecular Weight
218.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(4-Methoxyphenyl)furan-3-carboxylic acid
CAS Number87645-58-7
PubChem CID13096464
IUPAC Name5-(4-methoxyphenyl)furan-3-carboxylic acid
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP2.1
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity245
SMILES
COC1=CC=C(C=C1)C2=CC(=CO2)C(=O)O
InChI
InChI=1S/C12H10O4/c1-15-10-4-2-8(3-5-10)11-6-9(7-16-11)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
KGKSJJKOSONHJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Methoxyphenyl)furan-3-carboxylic acid
CAS: 87645-58-7
CID: 13096464
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area59.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity245
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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