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JNJ-26146900

CAT: 0931-T27671-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27671-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868691-50-3
Target
Androgen Receptor, Others
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
JNJ-26146900 is a nonsteroidal androgen receptor (AR) ligand with tissue-selective activity in rats. JNJ-26146900 binds to the rat AR with a K (i) of 400nM.
Smiles
[C@](CS(CC)(=O)=O)(C)(O)C1=CC=2C(N1)=CC(C(F)(F)F)=C(C#N)C2
Molecular Formula
C15H15F3N2O3S
Molecular Weight
360.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jnj-26146900

a nonsteroidal androgen receptor ligand with tissue-selective activity; structure in first source

CAS Number868691-50-3
PubChem CID11602942
IUPAC Name2-[(2R)-1-ethylsulfonyl-2-hydroxypropan-2-yl]-6-(trifluoromethyl)-1H-indole-5-carbonitrile
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.4
XLogP1.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity622
SMILES
CCS(=O)(=O)C[C@@](C)(C1=CC2=CC(=C(C=C2N1)C(F)(F)F)C#N)O
InChI
InChI=1S/C15H15F3N2O3S/c1-3-24(22,23)8-14(2,21)13-5-9-4-10(7-19)11(15(16,17)18)6-12(9)20-13/h4-6,20-21H,3,8H2,1-2H3/t14-/m0/s1
InChIKey
UJGGNFGSHPHGNE-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Jnj-26146900
CAS: 868691-50-3
CID: 11602942
Formula: C15H15F3N2O3S
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass360.07554800
Monoisotopic Mass360.07554800
Topological Polar Surface Area102 Ų
Heavy Atom Count24
Formal Charge0
Complexity622
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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