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AC-7954

CAT: 0931-T26542-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26542-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
734528-95-1
Target
GPCR, Others
Related Pathways
GPCR/G Protein, Endocrinology/Hormones, Others
Bioactivity
AC-7954 is a potent and efficacious agonist of urotensin II receptor.
Smiles
C(CN(C)C)C1(CC=2C(C(=O)O1)=CC=CC2)C3=CC=C(Cl)C=C3
Molecular Formula
C19H20ClNO2
Molecular Weight
329.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AC-7954

3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one is a 2-benzopyran.

CAS Number734528-95-1
PubChem CID9797568
IUPAC Name3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4H-isochromen-1-one
Molecular FormulaC19H20ClNO2
Molecular Weight329.8
XLogP4.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity420
SMILES
CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
InChIKey
HIVBATDUVFEJFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AC-7954
CAS: 734528-95-1
CID: 9797568
Formula: C19H20ClNO2
MW: 329.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight329.8
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass329.1182566
Monoisotopic Mass329.1182566
Topological Polar Surface Area29.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes