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DBCO-Cy3

CAT: 0931-T18969-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T18969-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1782950-79-1
Target
Others
Related Pathways
Others
Purity
0.9719
Bioactivity
DBCO-Cy3 (DBCO-Sulfo-Cy3) is a modified cyanine-3 and orange-red fluorescent dye that can undergo SPAAC click chemistry reactions with azide groups. It has an excitation wavelength of 555 nm and an emission wavelength of 580 nm.
Smiles
O=C(NCCC(=O)N1C=2C=CC=CC2C#CC=3C=CC=CC3C1)CCCCCN4C5=CC=C(C=C5C(C4=CC=CC6=[N+](C=7C=CC(=CC7C6(C)C)S(=O)(=O)O)CCCS(=O)(=O)[O-])(C)C)S(=O)(=O)O
Molecular Formula
C50H54N4O11S3
Molecular Weight
983.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DBCO-Cy3
CAS Number1782950-79-1
PubChem CID146026283
IUPAC Name3-[2-[(E,3E)-3-[1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate
Molecular FormulaC50H54N4O11S3
Molecular Weight983.2
XLogP5.1
Topological Polar Surface Area247
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count68
Formal Charge0
Complexity2350
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)[O-])C
InChI
InChI=1S/C50H54N4O11S3/c1-49(2)40-32-38(67(60,61)62)23-25-43(40)52(45(49)18-12-19-46-50(3,4)41-33-39(68(63,64)65)24-26-44(41)53(46)30-13-31-66(57,58)59)29-11-5-6-20-47(55)51-28-27-48(56)54-34-37-16-8-7-14-35(37)21-22-36-15-9-10-17-42(36)54/h7-10,12,14-19,23-26,32-33H,5-6,11,13,20,27-31,34H2,1-4H3,(H3-,51,55,57,58,59,60,61,62,63,64,65)
InChIKey
ALLGTQOHAQKUOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-Cy3
CAS: 1782950-79-1
CID: 146026283
Formula: C50H54N4O11S3
MW: 983.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight983.2
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass982.29512207
Monoisotopic Mass982.29512207
Topological Polar Surface Area247 Ų
Heavy Atom Count68
Formal Charge0
Complexity2350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
C8218-10DBCO-Cy3
HY-D3015-01CY3.5 DBCO
CLK-A140-1DBCO-Sulfo-Cy3
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FL167048-2K-01Cy3-PEG-DBCO, 2K
GTR19289501-01Sulfo-Cy3.5-DBCO
FL167048-5K-01Cy3-PEG-DBCO, 5K
D3890DBCO-Cy3-3 (dibenzocyctene-Cy3-3)
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