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SBFI

CAT: 0931-T87370-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T87370-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124549-08-2
Target
Others
Related Pathways
Others
Bioactivity
SBFI is a membrane-permeant fluorescent Na+ indicator dye, excited at 340 nm with emission collected at 450 nm [1]. It selectively indicates Na+ over K+ with Kd values of 20 mM and 120 mM for these ions, respectively [2].
Smiles
C(O)(=O)C1=C(C=2OC=3C(C2)=CC(OC)=C(C3)N4CCOCCN(CCOCCOCC4)C5=C(OC)C=C6C(=C5)OC(=C6)C7=C(C(O)=O)C=C(C(O)=O)C=C7)C=CC(C(O)=O)=C1
Molecular Formula
C44H42N2O15
Molecular Weight
838.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-6,2-benzofurandiyl))bis(1,3-benzenedicarboxylic acid)

Sodium-binding benzofuran isophthalate is a crown compound that is 1,4,10-trioxa-7,13-diazacyclopentadecane in which the hydrogens of the amino groups at position 7 and 13 are replaced by 2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl groups. It is a cell-impermeant fluorescent sodium indicator. It has a role as a fluorochrome. It is an aromatic ether, a tetracarboxylic acid, a crown compound and a member of 1-benzofurans.

CAS Number124549-08-2
PubChem CID123881
IUPAC Name4-[6-[13-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
Molecular FormulaC44H42N2O15
Molecular Weight838.8
XLogP5.4
Topological Polar Surface Area228
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Heavy Atom Count61
Formal Charge0
Complexity1380
SMILES
COC1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)C(=O)O)C(=O)O)N4CCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C=C(C=C7)C(=O)O)C(=O)O)OC
InChI
InChI=1S/C44H42N2O15/c1-55-39-21-27-19-37(29-5-3-25(41(47)48)17-31(29)43(51)52)60-35(27)23-33(39)45-7-11-57-12-8-46(10-14-59-16-15-58-13-9-45)34-24-36-28(22-40(34)56-2)20-38(61-36)30-6-4-26(42(49)50)18-32(30)44(53)54/h3-6,17-24H,7-16H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)
InChIKey
UGJCNRLBGKEGEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-6,2-benzofurandiyl))bis(1,3-benzenedicarboxylic acid)
CAS: 124549-08-2
CID: 123881
Formula: C44H42N2O15
MW: 838.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight838.8
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Exact Mass838.25851864
Monoisotopic Mass838.25851864
Topological Polar Surface Area228 Ų
Heavy Atom Count61
Formal Charge0
Complexity1380
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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