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DB-959 (free base)

CAT: 0931-T23967-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23967-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1257641-15-8
Target
Others, PPAR
Related Pathways
Others, DNA Damage/DNA Repair, Metabolism
Bioactivity
DB-959 is a potential agonist of PPAR.
Smiles
C(C(O)=O)[C@H]1C=2C(=CC(OCCC3=C(CC)OC(=N3)C4=CC=C(OC)C=C4)=CC2)CC1
Molecular Formula
C25H27NO5
Molecular Weight
421.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1S)-5-(2-(5-Ethyl-2-(4-methoxyphenyl)-4-oxazolyl)ethoxy)-2,3-dihydro-1H-indene-1-acetic acid
CAS Number1257641-15-8
PubChem CID49793231
IUPAC Name2-[(1S)-5-[2-[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
Molecular FormulaC25H27NO5
Molecular Weight421.5
XLogP4.9
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity578
SMILES
CCC1=C(N=C(O1)C2=CC=C(C=C2)OC)CCOC3=CC4=C(C=C3)[C@@H](CC4)CC(=O)O
InChI
InChI=1S/C25H27NO5/c1-3-23-22(26-25(31-23)16-6-8-19(29-2)9-7-16)12-13-30-20-10-11-21-17(14-20)4-5-18(21)15-24(27)28/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,27,28)/t18-/m0/s1
InChIKey
BINJXYDNGPHRGX-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (1S)-5-(2-(5-Ethyl-2-(4-methoxyphenyl)-4-oxazolyl)ethoxy)-2,3-dihydro-1H-indene-1-acetic acid
CAS: 1257641-15-8
CID: 49793231
Formula: C25H27NO5
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass421.18892296
Monoisotopic Mass421.18892296
Topological Polar Surface Area81.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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