200,000+ products from a single source!

sales@angenechem.com

Home > Indoles and Oxindole > 31094-73-2

31094-73-2

31094-73-2 | 1H-Indole, (phenylmethyl)- (9CI)

CAS No: 31094-73-2 Catalog No: AG00323W MDL No:

Product Description

Catalog Number:
AG00323W
Chemical Name:
1H-Indole, (phenylmethyl)- (9CI)
CAS Number:
31094-73-2
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
IUPAC Name:
1-benzylindole
InChI:
InChI=1S/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2
InChI Key:
NJZQOCCEDXRQJM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1ccc2c1cccc2
NSC Number:
93216

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Literature

Title Journal
Highly enantioselective trapping of zwitterionic intermediates by imines. Nature chemistry 20120901
Non-targeted analysis of wastewater treatment plant effluents by high performance liquid chromatography-time slice-solid phase extraction-nuclear magnetic resonance/time-of-flight-mass spectrometry. Journal of chromatography. A 20111223
Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities. Journal of medicinal chemistry 20110428
Phenyl ring-substituted lobelane analogs: inhibition of [³H]dopamine uptake at the vesicular monoamine transporter-2. The Journal of pharmacology and experimental therapeutics 20110301
HIV-1 integrase strand-transfer inhibitors: design, synthesis and molecular modeling investigation. European journal of medicinal chemistry 20110201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Discovery of 4-[1-[([1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl]carbonyl)amino]cyclopropyl]benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain. Bioorganic & medicinal chemistry letters 20100615
Evaluation of new indole and bromoindole derivatives as pp60(c-Src) tyrosine kinase inhibitors. Chemical biology & drug design 20091001
Beta,beta-disubstituted C- and N-vinylindoles from one-step condensations of aldehydes and indole derivatives. The Journal of organic chemistry 20090807
Au-containing all-carbon 1,3-dipoles: generation and [3+2] cycloaddition reactions. Journal of the American Chemical Society 20080924
Novel chemical enhancers of heat shock increase thermal radiosensitization through a mitotic catastrophe pathway. Cancer research 20070115
Selective PPARgamma modulators with improved pharmacological profiles. Bioorganic & medicinal chemistry letters 20050516

© 2019 Angene International Limited. All rights Reserved.