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S1647

CAT: 0931-T200838-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T200838-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
259528-99-9
Target
ASBT
Related Pathways
Membrane transporter/Ion channel
Bioactivity
S1647 is a dual inhibitor targeting both ASBT and SOAT. It is utilized in research focused on intrahepatic cholestasis, cholestatic pruritus, and constipation.
Smiles
[O-][N+](C1=CC=CC(S(NC2=C(C=CC=C2)C(NC3=CC=C(C(Cl)=C3)Cl)=O)(=O)=O)=C1)=O
Molecular Formula
C19H13Cl2N3O5S
Molecular Weight
466.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CAS Number259528-99-9
PubChem CID172652612
IUPAC NameN-(3,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
Molecular FormulaC19H13Cl2N3O5S
Molecular Weight466.3
XLogP4.9
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity727
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H13Cl2N3O5S/c20-16-9-8-12(10-17(16)21)22-19(25)15-6-1-2-7-18(15)23-30(28,29)14-5-3-4-13(11-14)24(26)27/h1-11,23H,(H,22,25)
InChIKey
QWXPCYFAVKGZTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CAS: 259528-99-9
CID: 172652612
Formula: C19H13Cl2N3O5S
MW: 466.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.3
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass464.9952971
Monoisotopic Mass464.9952971
Topological Polar Surface Area129 Ų
Heavy Atom Count30
Formal Charge0
Complexity727
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
HY-168523S1647

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