AG008RN6

118414-82-7 | 1H-Indole-2-propanoic acid,1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-a,a-dimethyl-5-(1-methylethyl)-

AG008RN6

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CAS Number	118414-82-7
Catalog Number	AG008RN6(AGN-PC-0PBXB8)
Chemical Name	1H-Indole-2-propanoic acid,1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-a,a-dimethyl-5-(1-methylethyl)-
IUPAC Name	3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
InChI	InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
InChI Key	QAOAOVKBIIKRNL-UHFFFAOYSA-N
MDL Number	MFCD00876710
Molecular Formula	C27H34ClNO2S
Molecular Weight	472.0824
NSC Number	736463
SMILES	O=C(O)C(C)(C)CC(N1CC2=CC=C(Cl)C=C2)=C(SC(C)(C)C)C3=C1C=CC(C(C)C)=C3
UNII	080626SQ8C
Synonyms	1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-1h-indole-2-propanoic acid, 1H-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-, 3-(1-(4-chlorobenzyl)-3-t-butylthio-5-isopropylindol-2-yl)-2,2-dimethylpropanoic acid, L 663536, L-663,536, MK 886, MK-886, MK886 cpd, MK-886, 118414-82-7, MK 886, MK886, 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid, UNII-080626SQ8C, QAOAOVKBIIKRNL-UHFFFAOYSA-N, L-663,536, CHEMBL29097, CHEBI:75390, L 663536, MK-886 (L-663,536), L-663536, 080626SQ8C, 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid, 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-Alpha,Alpha-dimethyl-5-(1-methylethyl)- [CAS], 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid, SMR000466278, SR-01000076049, AC1MTKSB, NCGC00025106-01, Tocris-1311, Curator_000017, Lopac0_000774, MLS000758280, MLS001424151, SCHEMBL503001, GTPL2655, DTXSID5041067, cid_3651377, EX-A127, HMS2051N18, HMS3393N18, BCP06501, KS-00001D8G, ZINC1536875, BDBM50006805, MFCD00876710, NSC736463, s8236, AKOS022178156, CCG-101053, CS-5755, mk-886-l-663-536, NC00303, NSC-736463, SB19084, NCGC00025106-02, 4CA-0825, AJ-26829, AM808017, CPD000466278, DA-47545, HY-14166, SAM001247075, AX8283491, B6684, FT-0628956, SR-01000076049-3, 3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid, 1-(p Chlorobenzyl)-3-(t-butylthio)-alpha,alpha-dimethyl-5-(i-propyl)-indole-2-propanoic acid, 1-(p-Chlorobenzyl)-3-(t-butylthio)-alpha,alpha-dimethyl -5-(i-propyl)-indole-2-propanoic acid, 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]- a,a-dimethyl-5-(1-methylethyl)-1H-Indole-2-propanoic acid, 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-.alpha.,.alpha.- dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid, 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-?,?-dimethyl-5-(1-methylethyl)-1H-Indole-2-propanoic acid, 1H-Indole-2-propanoic acid,1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-a,a-dimethyl-5-(1-methylethyl)-, 3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid, 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 3-[3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indoi-2-yl]-2,2-dimethyl-propionic acid, MK886 cpd, D0K2ER, C27H34ClNO2S, cc-719, C27-H34-Cl-N-O2-S, ACN-038209, CID3651377, A13346, C060893, 3-(1-(4-Chlorobenzyl)-3-t-butylthio-5-isopropylindol-2-yl)-2,2-dimethylpropanoic acid, 1-((4-Chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-1h-indole-2-propanoic acid, 118427-55-7, 1H-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-, 1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-, 2-((1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)methyl)-2-methylpropanoic acid, 3-[1-(4-Chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid,

Complexity	638
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	471.2g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	472.084g/mol
Monoisotopic Mass	471.2g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number