Products for Research Use Only

SR10067

CAT: 0013-GTR19175759-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175759-07Size:100 mg
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Description
SR10067
CAS Number
1380548-02-6
Product Name Alternative
Inhibit, neuropsychiatric disorders, metabolic diseases, Inhibitor, brain penetrant, SR 10067, SR10067, SR-10067, REV-ERB, Rev-Erbα, Rev-Erbβ
Field of Research
Cell Biology, Metabolism Research
Purity
99.57% (May vary between batches)
Solubility
DMSO:65 mg/mL (139.61 mM) ;10% DMSO+90% Corn Oil:2.5 mg/mL (5.37 mM)
Smiles
CC (C) (C) Oc1ccc (OCC2Cc3ccccc3CN2C (=O) c2cccc3ccccc23) cc1
Molecular Formula
C31H31NO3
Molecular Weight
465.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[3-[[4-(1,1-Dimethylethoxy)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenylmethanone
CAS Number1380548-02-6
PubChem CID60168097
IUPAC Name[3-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
Molecular FormulaC31H31NO3
Molecular Weight465.6
XLogP6.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity694
SMILES
CC(C)(C)OC1=CC=C(C=C1)OCC2CC3=CC=CC=C3CN2C(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C31H31NO3/c1-31(2,3)35-27-17-15-26(16-18-27)34-21-25-19-23-10-4-5-11-24(23)20-32(25)30(33)29-14-8-12-22-9-6-7-13-28(22)29/h4-18,25H,19-21H2,1-3H3
InChIKey
MOPAGKWBFUICQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [3-[[4-(1,1-Dimethylethoxy)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenylmethanone
CAS: 1380548-02-6
CID: 60168097
Formula: C31H31NO3
MW: 465.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight465.6
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass465.23039385
Monoisotopic Mass465.23039385
Topological Polar Surface Area38.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes