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RD162

CAT: 0607-C3186-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C3186-10Size:10 mg
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Description
androgen receptor (AR) antagonist
CAS Number
915087-27-3
Product Name Alternative
4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl-benzamide
Field of Research
Endocrinology and Hormones Androgen Receptor
Purity
0.98
Form
A crystalline solid
Solubility
≤30mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
S=C1N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C3(CCC3)N1C4=CC(F)=C(C(NC)=O)C=C4)=O
Molecular Formula
C22H16F4N4O2S
Molecular Weight
476.4
Shipping Conditions
Blue ice
Storage Conditions
Store at 4°C.

Chemical Information

4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
CAS Number915087-27-3
PubChem CID11957756
IUPAC Name4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
Molecular FormulaC22H16F4N4O2S
Molecular Weight476.4
XLogP3.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity883
SMILES
CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(C=C4)C#N)C(F)(F)F)F
InChI
InChI=1S/C22H16F4N4O2S/c1-28-18(31)15-6-5-14(10-17(15)23)30-20(33)29(19(32)21(30)7-2-8-21)13-4-3-12(11-27)16(9-13)22(24,25)26/h3-6,9-10H,2,7-8H2,1H3,(H,28,31)
InChIKey
JPQFGMYHKSKKGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
CAS: 915087-27-3
CID: 11957756
Formula: C22H16F4N4O2S
MW: 476.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass476.09300959
Monoisotopic Mass476.09300959
Topological Polar Surface Area109 Ų
Heavy Atom Count33
Formal Charge0
Complexity883
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T21740-01RD162

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