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DBCO-PEG24-Maleimide

CAT: 0931-T84689-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84689-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2924872-84-2
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
DBCO-PEG24-Maleimide, featuring both a maleimide group and a DBCO moiety, is designed for the conjugation of thiol-containing biomolecules and facilitates click chemistry applications with azide-bearing biomolecules [1].
Smiles
C(CCNC(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(CCN1C(=O)C=CC1=O)=O)=O)(=O)N2C=3C(C#CC=4C(C2)=CC=CC4)=CC=CC3
Molecular Formula
C76H122N4O29
Molecular Weight
1555.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DBCO-PEG24-Maleimide
CAS Number2924872-84-2
PubChem CID155906774
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
Molecular FormulaC76H122N4O29
Molecular Weight1555.8
XLogP-3
Topological Polar Surface Area337
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count29
Rotatable Bond Count81
Heavy Atom Count109
Formal Charge0
Complexity2250
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O
InChI
InChI=1S/C76H122N4O29/c81-72(14-18-79-74(83)11-12-75(79)84)78-17-20-87-22-24-89-26-28-91-30-32-93-34-36-95-38-40-97-42-44-99-46-48-101-50-52-103-54-56-105-58-60-107-62-64-109-66-65-108-63-61-106-59-57-104-55-53-102-51-49-100-47-45-98-43-41-96-39-37-94-35-33-92-31-29-90-27-25-88-23-21-86-19-15-73(82)77-16-13-76(85)80-67-70-7-2-1-5-68(70)9-10-69-6-3-4-8-71(69)80/h1-8,11-12H,13-67H2,(H,77,82)(H,78,81)
InChIKey
ABMCAJWJYKSVIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG24-Maleimide
CAS: 2924872-84-2
CID: 155906774
Formula: C76H122N4O29
MW: 1555.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1555.8
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count29
Rotatable Bond Count81
Exact Mass1554.81947387
Monoisotopic Mass1554.81947387
Topological Polar Surface Area337 Ų
Heavy Atom Count109
Formal Charge0
Complexity2250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes