Methyltetrazine-DBCO

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Methyltetrazine-DBCO

Methyltetrazine-DBCO | 1802238-48-7

Catalog Number R08-0028
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C34H33N7O7S
Molecular Weight 683.73
Catalog Number Size Price Quantity
R08-0028 -- $--

Chemical Information

Synonyms 3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]-1-[3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propylamino]-1-oxopropane-2-sulfonic acid; 2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-1-({3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propyl}carbamoyl)ethane-1-sulfonic acid
Purity >98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCNC(=O)C(CNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)S(=O)(=O)O
InChI InChI=1S/C34H33N7O7S/c1-23-37-39-33(40-38-23)26-13-15-28(16-14-26)48-20-6-19-35-34(44)30(49(45,46)47)21-36-31(42)17-18-32(43)41-22-27-9-3-2-7-24(27)11-12-25-8-4-5-10-29(25)41/h2-5,7-10,13-16,30H,6,17-22H2,1H3,(H,35,44)(H,36,42)(H,45,46,47)
InChI Key YYYPWVPKWWTZRY-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 1.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 13
Exact Mass 683.21621759 g/mol
Monoisotopic Mass 683.21621759 g/mol
Topological Polar Surface Area 202Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1300
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
WO-2022263944-A1 Azido-containing monomers, polymers, and articles 2021-06-16
WO-2020061123-A1 Systems and methods for dissecting heterogeneous cell populations 2018-09-18
US-2019276818-A1 Sample multiplexing for single-cell rna sequencing 2018-03-08
WO-2019173638-A1 Sample multiplexing for single-cell rna sequencing 2018-03-08
US-11492610-B2 Sample multiplexing for single-cell RNA sequencing 2018-03-08
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