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CM764

CAT: 0931-T70912-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70912-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1350296-29-5
Target
Others, Sigma receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
CM764 is a potent and selective antagonist of sigma-2 receptors, a novel derivative of SN79.
Smiles
C(CCCN1CCN(CC1)C2=C(N)C=C(F)C=C2)N3C=4C(=CC(C(C)=O)=CC4)OC3=O
Molecular Formula
C23H27FN4O3
Molecular Weight
426.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Acetyl-3-[4-[4-(2-amino-4-fluorophenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CAS Number1350296-29-5
PubChem CID58511893
IUPAC Name6-acetyl-3-[4-[4-(2-amino-4-fluorophenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
Molecular FormulaC23H27FN4O3
Molecular Weight426.5
XLogP2.8
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity642
SMILES
CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCCCN3CCN(CC3)C4=C(C=C(C=C4)F)N
InChI
InChI=1S/C23H27FN4O3/c1-16(29)17-4-6-21-22(14-17)31-23(30)28(21)9-3-2-8-26-10-12-27(13-11-26)20-7-5-18(24)15-19(20)25/h4-7,14-15H,2-3,8-13,25H2,1H3
InChIKey
FYRMUNUDXHUNNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Acetyl-3-[4-[4-(2-amino-4-fluorophenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CAS: 1350296-29-5
CID: 58511893
Formula: C23H27FN4O3
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass426.20671890
Monoisotopic Mass426.20671890
Topological Polar Surface Area79.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity642
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-117420CM764

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