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DPI-3290

CAT: 0931-T15165-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15165-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
182417-73-8
Target
Opioid Receptor
Related Pathways
Endocrinology/Hormones, GPCR/G Protein, Neuroscience
Bioactivity
DPI-3290 is a specific agonist of opioid receptors (Ki: 0.18 nM, 0.46 nM, and 0.62 nM for δ-, μ-, and κ-opioid receptors, respectively) with potent antinociceptive activity. DPI-3290 is one of a series of novel centrally acting agents.
Smiles
[C@@H](N1[C@@H](C)CN(CC=C)[C@H](C)C1)(C2=CC(C(N(C)C3=CC(F)=CC=C3)=O)=CC=C2)C4=CC(O)=CC=C4
Molecular Formula
C30H34FN3O2
Molecular Weight
487.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide
CAS Number182417-73-8
PubChem CID9826770
IUPAC Name3-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-(3-fluorophenyl)-N-methylbenzamide
Molecular FormulaC30H34FN3O2
Molecular Weight487.6
XLogP5.5
Topological Polar Surface Area47
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity735
SMILES
C[C@H]1CN([C@@H](CN1[C@H](C2=CC(=CC=C2)C(=O)N(C)C3=CC(=CC=C3)F)C4=CC(=CC=C4)O)C)CC=C
InChI
InChI=1S/C30H34FN3O2/c1-5-15-33-19-22(3)34(20-21(33)2)29(24-10-7-14-28(35)17-24)23-9-6-11-25(16-23)30(36)32(4)27-13-8-12-26(31)18-27/h5-14,16-18,21-22,29,35H,1,15,19-20H2,2-4H3/t21-,22+,29-/m1/s1
InChIKey
LZXRQLIIMYJZDA-UETOGOEVSA-N
Chemical Structure
2D Structure
2D structure of (+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide
CAS: 182417-73-8
CID: 9826770
Formula: C30H34FN3O2
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass487.26350550
Monoisotopic Mass487.26350550
Topological Polar Surface Area47 Ų
Heavy Atom Count36
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes