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BMS986188

CAT: 0013-GTR19155920-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155920-02Size:5 mg
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Description
BMS986188 is a novel Potent and Selective Positive Allosteric Modulator of the delta-Opioid Receptor.
CAS Number
1776115-10-6
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
CC1 (CC2=C (C (C3=C (O2) CC (CC3=O) (C) C) C4=CC=C (C=C4) OCC5=CC=CC=C5Br) C (=O) C1) C
Molecular Formula
C30H31BrO4
Molecular Weight
535.47
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

9-[4-[(2-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CAS Number1776115-10-6
PubChem CID118737394
IUPAC Name9-[4-[(2-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Molecular FormulaC30H31BrO4
Molecular Weight535.5
XLogP6.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity882
SMILES
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5Br)C(=O)C1)C
InChI
InChI=1S/C30H31BrO4/c1-29(2)13-22(32)27-24(15-29)35-25-16-30(3,4)14-23(33)28(25)26(27)18-9-11-20(12-10-18)34-17-19-7-5-6-8-21(19)31/h5-12,26H,13-17H2,1-4H3
InChIKey
BBCHHZHONQIODT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-[4-[(2-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CAS: 1776115-10-6
CID: 118737394
Formula: C30H31BrO4
MW: 535.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass534.14057
Monoisotopic Mass534.14057
Topological Polar Surface Area52.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity882
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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