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BODIPY 630/650X

CAT: 0931-T82844-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T82844-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
380367-48-6
Target
Others
Related Pathways
Others
Purity
0.9572
Bioactivity
BODIPY 630/650X is a fluorescently labeled conjugate of the adenosine receptor ligand N-ethylcarboxamido-adenosine (NECA), which exhibits distinct excitation and emission maxima at approximately 630 nanometers and 650 nanometers, respectively, making it a valuable tool for fluorescence-based assays and imaging studies targeting adenosine receptor activity and distribution.
Smiles
O=C(CCCCCNC(COC1=CC=C(C=CC2=CC=C3C=C4C=CC(C5=CC=CS5)=[N+]4[B-](F)([N-]23)F)C=C1)=O)ON6C(CCC6=O)=O
Molecular Formula
C33H31BF2N4O6S
Molecular Weight
660.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BDP 630/650 X NHS ester

BODIPY 630/650-X is a pyrrolidinone and a BODIPY dye. It has a role as a fluorochrome. It is functionally related to a 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene.

CAS Number380367-48-6
PubChem CID25164049
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoate
Molecular FormulaC33H31BF2N4O6S
Molecular Weight660.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count47
Formal Charge0
Complexity1350
SMILES
[B-]1(N2C(=CC=C2/C=C/C3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C=C5[N+]1=C(C=C5)C6=CC=CS6)(F)F
InChI
InChI=1S/C33H31BF2N4O6S/c35-34(36)38-24(11-12-25(38)21-26-13-16-28(39(26)34)29-5-4-20-47-29)10-7-23-8-14-27(15-9-23)45-22-30(41)37-19-3-1-2-6-33(44)46-40-31(42)17-18-32(40)43/h4-5,7-16,20-21H,1-3,6,17-19,22H2,(H,37,41)/b10-7+
InChIKey
TZBGLTNFAMQEEZ-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of BDP 630/650 X NHS ester
CAS: 380367-48-6
CID: 25164049
Formula: C33H31BF2N4O6S
MW: 660.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass660.2025424
Monoisotopic Mass660.2025424
Topological Polar Surface Area138 Ų
Heavy Atom Count47
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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B2248-5ND-630
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