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(S)-(-)-DBD-Pro-COCl [=(S)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] - >90.0%(HPLC), high purity , CAS No.150993-63-8

COA

Grade & Purity:

≥90%(HPLC)

Cas Number: 150993-63-8
Molecular Weight: 358.8
MDL number: MFCD00191380
PubChem CID: 44630074

In stock

Item Number

S161317

Grouped product items
SKU	Size	Availability	Price
S161317-10mg	10mg	3	$13.90
S161317-50mg	50mg	2	$53.90
S161317-100mg	100mg	2	$81.90

View related series

Five-Membered Heterocyclic Compounds (2064) Oxadiazoles (49)

Basic Description

Synonyms	(2S)-1-[7-(DIMETHYLSULFAMOYL)-2,1,3-BENZOXADIAZOL-4-YL]PYRROLIDINE-2-CARBONYL CHLORIDE \| (S)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole \| MFCD00191380 \| (S)-1-(7-(N,N-Dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol
Specifications & Purity	≥90%(HPLC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Proline and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Proline and derivatives
Alternative Parents	Benzoxadiazoles Pyrrolidine carboxylic acids and derivatives Dialkylarylamines Organosulfonamides Benzenoids Heteroaromatic compounds Furazans Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Proline or derivatives - Benzoxadiazole - Pyrrolidine carboxylic acid or derivatives - Dialkylarylamine - Organosulfonic acid amide - Benzenoid - Azole - Furazan - Oxadiazole - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Tertiary amine - Oxacycle - Acyl chloride - Azacycle - Organoheterocyclic compound - Acyl halide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Carbonyl group - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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

Names and Identifiers

IUPAC Name	(2S)-1-[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]pyrrolidine-2-carbonyl chloride
INCHI	InChI=1S/C13H15ClN4O4S/c1-17(2)23(20,21)10-6-5-8(11-12(10)16-22-15-11)18-7-3-4-9(18)13(14)19/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKey	ZPBKQTOHYMFDLD-VIFPVBQESA-N
Smiles	CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCCC3C(=O)Cl
Isomeric SMILES	CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC[C@H]3C(=O)Cl
PubChem CID	44630074
Molecular Weight	358.8

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
G2215643	Certificate of Analysis	Jun 28, 2022	S161317
G2215697	Certificate of Analysis	Jun 28, 2022	S161317
G2215644	Certificate of Analysis	Jun 28, 2022	S161317

Chemical and Physical Properties

Sensitivity	Moisture Sensitive,Heat Sensitive
Molecular Weight	358.800 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	358.05 Da
Monoisotopic Mass	358.05 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	567.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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