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 Number	124549-08-2
PubChem CID	123881
IUPAC Name	4-[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 Formula	C44H42N2O15
Molecular Weight	838.8
XLogP	5.4
Topological Polar Surface Area	228
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	10
Heavy Atom Count	61
Formal Charge	0
Complexity	1380

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

CAS: 124549-08-2

CID: 123881

Formula: C44H42N2O15

MW: 838.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	838.8
XLogP3	5.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	10
Exact Mass	838.25851864
Monoisotopic Mass	838.25851864
Topological Polar Surface Area	228 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1380
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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