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H100

CAT: 0931-T11528-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11528-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
643727-55-3
Target
Others, Chloride channel
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
H100 is a Cl- transport inhibitor, no effect against KCl cotransporter. It has partial effects against both the NaK2Cl cotransporter and the Band 3 anion exchanger.
Smiles
O(C1=C(C=C(C(O)=O)C=C1S(N)(=O)=O)N2C=CC=C2)C3=CC=C(OC)C=C3
Molecular Formula
C18H16N2O6S
Molecular Weight
388.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H100
CAS Number643727-55-3
PubChem CID133053570
IUPAC Name4-(4-methoxyphenoxy)-3-pyrrol-1-yl-5-sulfamoylbenzoic acid
Molecular FormulaC18H16N2O6S
Molecular Weight388.4
XLogP1.9
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity608
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3C=CC=C3
InChI
InChI=1S/C18H16N2O6S/c1-25-13-4-6-14(7-5-13)26-17-15(20-8-2-3-9-20)10-12(18(21)22)11-16(17)27(19,23)24/h2-11H,1H3,(H,21,22)(H2,19,23,24)
InChIKey
XMITYVYFZBWPCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of H100
CAS: 643727-55-3
CID: 133053570
Formula: C18H16N2O6S
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass388.07290741
Monoisotopic Mass388.07290741
Topological Polar Surface Area129 Ų
Heavy Atom Count27
Formal Charge0
Complexity608
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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