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UT-155

CAT: 0013-GTR19155575-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155575-04Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UT-155 is a selective and potent antagonist of the androgen receptor (AR) (Ki: 267 nM for UT-155 binding to AR-LBD) .
CAS Number
2031161-35-8
Purity
>98% (HPLC)
Solubility
DMSO:130 mg/mL (320.71 mM) ; H2O:< 0.1 mg/mL (insoluble)
Smiles
C[C@] (Cn (cc1) c (cc2) c1cc2F) (C (Nc (cc1) cc (C (F) (F) F) c1C#N) =O) O
Molecular Formula
C20H15F4N3O2
Molecular Weight
405.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(S)-N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(5-fluoro-1H-indol-1-yl)-2-hydroxy-2-methylpropanamide
CAS Number2031161-35-8
PubChem CID122640156
IUPAC Name(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
Molecular FormulaC20H15F4N3O2
Molecular Weight405.3
XLogP3.1
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity664
SMILES
C[C@](CN1C=CC2=C1C=CC(=C2)F)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O
InChI
InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1
InChIKey
CFSAYQVTXBMPRF-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(5-fluoro-1H-indol-1-yl)-2-hydroxy-2-methylpropanamide
CAS: 2031161-35-8
CID: 122640156
Formula: C20H15F4N3O2
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass405.11003938
Monoisotopic Mass405.11003938
Topological Polar Surface Area78.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity664
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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