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SLC26A4-IN-1

CAT: 0804-HY-168735-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-168735-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SLC26A4-IN-1 (compound 1a) is a pendrin/SLC26A4 inhibitor. pendrin is a Cl-/HCO3- exchanger[1].
CAS Number
5010-56-0
UNSPSC
12352101
Target
Chloride Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/slc26a4-in-1.html
Purity
99.68
Smiles
CC1=C(C(O)=O)C2=CC(OCC3=CC=C(Br)C=C3)=CC=C2O1
Molecular Formula
C17H13BrO4
Molecular Weight
361.19
References & Citations
[1]Master RJ, et al. High potency 3-carboxy-2-methylbenzofuran pendrin inhibitors as novel diuretics. Eur J Med Chem. 2024 Dec 3;283:117133.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-[(4-Bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CAS Number5010-56-0
PubChem CID988878
IUPAC Name5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
Molecular FormulaC17H13BrO4
Molecular Weight361.2
XLogP4.4
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity394
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)Br)C(=O)O
InChI
InChI=1S/C17H13BrO4/c1-10-16(17(19)20)14-8-13(6-7-15(14)22-10)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,20)
InChIKey
NXYCLZDDICDAQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(4-Bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CAS: 5010-56-0
CID: 988878
Formula: C17H13BrO4
MW: 361.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.2
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass359.99972
Monoisotopic Mass359.99972
Topological Polar Surface Area59.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity394
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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