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Membrane Transporter/Ion Channel
GlyT
SSR-504734 free base , CAS No.742693-38-5

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SSR-504734 free base , CAS No.742693-38-5

COA

Cas Number: 742693-38-5
Molecular Weight: 396.8
PubChem CID: 9954540

In stock

Item Number

S669051

Grouped product items
SKU	Size	Availability	Price	Qty
S669051-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
S669051-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

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Membrane Transporter (607)

Basic Description

Synonyms	SSR-504734 free base \| UNII-T964W5949Z \| T964W5949Z \| DTXSID3047348 \| 2-Chloro-N-((S)-phenyl((2S)-piperidin-2-yl)methyl)-3-(trifluoromethyl)benzamide \| Benzamide, 2-chloro-N-((S)-phenyl(2S)-2-piperidinylmethyl)-3-(trifluoromethyl)- \| 2-chloro-n-[(s)-pheny

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 N-benzylbenzamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides
Direct Parent	N-benzylbenzamides
Alternative Parents	Trifluoromethylbenzenes 2-halobenzoic acids and derivatives Benzoyl derivatives Aralkylamines Chlorobenzenes Piperidines Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Alkyl fluorides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylbenzamide - Trifluoromethylbenzene - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Vinylogous halide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	4.7

Associated Targets(Human)

SLC6A9 Tchem Sodium- and chloride-dependent glycine transporter 1 (2 Activities)

Discover Target: SLC6A9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Slc6a9 Glycine transporter 1 (255 Activities)

Discover Target: Slc6a9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-chloro-N-[(S)-phenyl-[(2S)-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide
INCHI	InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m0/s1
InChIKey	MEZRZVWPLXVLSO-WMZOPIPTSA-N
Smiles	C1CCNC(C1)C(C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl
Isomeric SMILES	C1CCN[C@@H](C1)[C@H](C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl
PubChem CID	9954540
Molecular Weight	396.8

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	396.800 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	396.122 Da
Monoisotopic Mass	396.122 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	496.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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