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DSP-1053

CAT: 0931-T11107-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T11107-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1176326-76-3
Target
Others, 5-HT Receptor, Serotonin Transporter
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
Dsp-1053 is a powerful SERT (Ki=1.02 nM) inhibitor with partial 5-HT1A receptor (Ki=5.05 nM) agonizing activity.
Smiles
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Br
Molecular Formula
C26H32BrNO4
Molecular Weight
502.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
CAS Number1176326-76-3
PubChem CID44182694
IUPAC Name6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
Molecular FormulaC26H32BrNO4
Molecular Weight502.4
XLogP4.9
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity582
SMILES
COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br
InChI
InChI=1S/C26H32BrNO4/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25/h2-5,17-18,20H,6-16H2,1H3
InChIKey
ZSVLGHSNQJYODD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
CAS: 1176326-76-3
CID: 44182694
Formula: C26H32BrNO4
MW: 502.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass501.15147
Monoisotopic Mass501.15147
Topological Polar Surface Area48 Ų
Heavy Atom Count32
Formal Charge0
Complexity582
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

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M10599-01DSP-1053
HY-111419ADSP-1053 (benzenesulfonate)
MBS5814677DSP-1053 benzenesulfonate
A20037-50DSP-1053 50mg
A20037-25DSP-1053 25mg
A20037-10DSP-1053 10mg
A20037-5DSP-1053 5mg
A20037-1DSP-1053 1mg
A20037-100DSP-1053 100mg
HY-P991063GEN-1053

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