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D36

CAT: 0931-T23934-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23934-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
927819-39-4
Target
Estrogen Receptor/ERR, Others
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
D36 is an androgen receptor allosteric antagonist. It also has inverse agonist properties.
Smiles
C(C(N)=O)C=1C=2C(N(CC(C)C)C1)=CC=C(C2)C3=C(OC)C=CC=C3
Molecular Formula
C21H24N2O2
Molecular Weight
336.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(2-Methylpropyl)-5-(2-methoxyphenyl)-1H-indole-3-acetamide
CAS Number927819-39-4
PubChem CID44439244
IUPAC Name2-[5-(2-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]acetamide
Molecular FormulaC21H24N2O2
Molecular Weight336.4
XLogP3.7
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity453
SMILES
CC(C)CN1C=C(C2=C1C=CC(=C2)C3=CC=CC=C3OC)CC(=O)N
InChI
InChI=1S/C21H24N2O2/c1-14(2)12-23-13-16(11-21(22)24)18-10-15(8-9-19(18)23)17-6-4-5-7-20(17)25-3/h4-10,13-14H,11-12H2,1-3H3,(H2,22,24)
InChIKey
VVFSMYPKXKRBFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Methylpropyl)-5-(2-methoxyphenyl)-1H-indole-3-acetamide
CAS: 927819-39-4
CID: 44439244
Formula: C21H24N2O2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass336.183778013
Monoisotopic Mass336.183778013
Topological Polar Surface Area57.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity453
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

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