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TBC3711

CAT: 0931-T15232-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15232-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
349453-49-2
Target
Others, Endothelin Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
TBC3711 is an endothelin receptor modulator. It is used for the research of endothelin-mediated disorders.
Smiles
S(NC1=C(C)C(C)=NO1)(=O)(=O)C2=C(C(NC3=C(C(C)=O)C=C(C)C=C3C)=O)SC=C2
Molecular Formula
C20H21N3O5S2
Molecular Weight
447.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide

TBC3711 is a next-generation endothelin antagonist that is being studied through oral and intravenous formulations by Encysive Pharmaceuticals.

CAS Number349453-49-2
PubChem CID9911482
IUPAC NameN-(2-acetyl-4,6-dimethylphenyl)-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
Molecular FormulaC20H21N3O5S2
Molecular Weight447.5
XLogP3.8
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity756
SMILES
CC1=CC(=C(C(=C1)C(=O)C)NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)C)C
InChI
InChI=1S/C20H21N3O5S2/c1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h6-9,23H,1-5H3,(H,21,25)
InChIKey
IAYNHDZSSDUYHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide
CAS: 349453-49-2
CID: 9911482
Formula: C20H21N3O5S2
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass447.09226313
Monoisotopic Mass447.09226313
Topological Polar Surface Area155 Ų
Heavy Atom Count30
Formal Charge0
Complexity756
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

Alternative Products

CatalogName
MBS5769042TBC3711

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