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TC-AQP1-1

CAT: 0931-T24859-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T24859-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37710-81-9
Target
Aquaporin
Related Pathways
Membrane transporter/Ion channel
Purity
0.9759
Bioactivity
TC-AQP1-1 is a blocker of the aquaporin 1 channel identified by virtual screening and inhibits water flux through hAQP1 in Xenopus laevis oocyte swelling assays at low micromolar concentrations.
Smiles
C(=CC(O)=O)C1=CC(C=CC(O)=O)=CC=C1
Molecular Formula
C12H10O4
Molecular Weight
218.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Propenoic acid, 3,3'-(1,3-phenylene)bis-
CAS Number37710-81-9
PubChem CID766406
IUPAC Name3-[3-(2-carboxyethenyl)phenyl]prop-2-enoic acid
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP2.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity287
SMILES
C1=CC(=CC(=C1)C=CC(=O)O)C=CC(=O)O
InChI
InChI=1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)
InChIKey
KRXUBZPHAPGHPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propenoic acid, 3,3'-(1,3-phenylene)bis-
CAS: 37710-81-9
CID: 766406
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes