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DY131

CAT: 0931-T2250-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T2250-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95167-41-2
Target
Estrogen Receptor/ERR, Estrogen/progestogen Receptor, Smo
Related Pathways
Endocrinology/Hormones, Stem Cells
Purity
0.9966
Bioactivity
DY131 (DY-131) is a novel selective agonist of ERRβ and ERRγ.
Smiles
CCN(CC)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1
Molecular Formula
C18H21N3O2
Molecular Weight
311.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gsk-9089

DY131 is a member of benzoic acids.

CAS Number95167-41-2
PubChem CID5497124
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
Molecular FormulaC18H21N3O2
Molecular Weight311.4
XLogP3.1
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity380
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChIKey
WLKOCYWYAWBGKY-CPNJWEJPSA-N
Chemical Structure
2D Structure
2D structure of Gsk-9089
CAS: 95167-41-2
CID: 5497124
Formula: C18H21N3O2
MW: 311.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass311.16337692
Monoisotopic Mass311.16337692
Topological Polar Surface Area64.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes