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DBCO-NHS ester

CAT: 0931-T15067-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15067-01Size:5 mg
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CAS Number
1353016-71-3
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Purity
0.9904
Bioactivity
DBCO-NHS ester is an ADC linker, cleavable 3-unit PEG, which can also be used to synthesize antibody drug conjugates (ADCs) .
Smiles
O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)ON1C(=O)CCC1=O
Molecular Formula
C23H18N2O5
Molecular Weight
402.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DBCO-NHS Ester
CAS Number1353016-71-3
PubChem CID77078178
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoate
Molecular FormulaC23H18N2O5
Molecular Weight402.4
XLogP1.7
Topological Polar Surface Area84
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity778
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C23H18N2O5/c26-20(13-14-23(29)30-25-21(27)11-12-22(25)28)24-15-18-7-2-1-5-16(18)9-10-17-6-3-4-8-19(17)24/h1-8H,11-15H2
InChIKey
XCEBOJWFQSQZKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-NHS Ester
CAS: 1353016-71-3
CID: 77078178
Formula: C23H18N2O5
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass402.12157168
Monoisotopic Mass402.12157168
Topological Polar Surface Area84 Ų
Heavy Atom Count30
Formal Charge0
Complexity778
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