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CM572

CAT: 0013-GTR19200451-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200451-02Size:50 mg
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Description
CM572 is a selective sigma-2 receptor ligand with antagonist properties. It is a valuable research tool for investigating sigma-2 receptor function in neurobiological studies and oncology research, with applications in both in vitro binding assays and in vivo model systems.
CAS Number
1121932-91-9
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CCCN1CCN (CC1) C2=CC=C (F) C=C2) N3C=4C (=CC (N=C=S) =CC4) OC3=O
Molecular Formula
C22H23FN4O2S
Molecular Weight
426.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-6-isothiocyanato-1,3-benzoxazol-2-one
CAS Number1121932-91-9
PubChem CID59630056
IUPAC Name3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-6-isothiocyanato-1,3-benzoxazol-2-one
Molecular FormulaC22H23FN4O2S
Molecular Weight426.5
XLogP5.2
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity631
SMILES
C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=C=S)OC2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H23FN4O2S/c23-17-3-6-19(7-4-17)26-13-11-25(12-14-26)9-1-2-10-27-20-8-5-18(24-16-30)15-21(20)29-22(27)28/h3-8,15H,1-2,9-14H2
InChIKey
GMDKRSGIJNEPIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-6-isothiocyanato-1,3-benzoxazol-2-one
CAS: 1121932-91-9
CID: 59630056
Formula: C22H23FN4O2S
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass426.15257532
Monoisotopic Mass426.15257532
Topological Polar Surface Area80.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity631
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
MBS5773666CM572

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