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BMS986187

CAT: 1410-M24699-01Size: 1 EachDry Ice: NoHazardous: No
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Description
BMS986187 is a novel Potent and Selective Positive Allosteric Modulators of the delta-Opioid Receptor.
CAS Number
684238-37-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
470.6
Molecular Formula
C31H34O4
Notes
Research use only, not for human use.
Receptor
Δ-opioid receptor

Chemical Information

Bms-986187

a positive allosteric modulator of delta-opioid receptors; structure in first source

CAS Number684238-37-7
PubChem CID17379334
IUPAC Name3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Molecular FormulaC31H34O4
Molecular Weight470.6
XLogP5.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity876
SMILES
CC1=CC=CC=C1COC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
InChI
InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3
InChIKey
UEKIYVKPQNKSDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-986187
CAS: 684238-37-7
CID: 17379334
Formula: C31H34O4
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass470.24570956
Monoisotopic Mass470.24570956
Topological Polar Surface Area52.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity876
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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CatalogName
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CatalogName
BUP03887-01BMS986187

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