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DBCO-acid

CAT: 0931-T15057-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15057-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1353016-70-2
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
DBCO-acid is utilized in the synthesis of ADC linker DBCO-NHS ester and drug-linker conjugates DBCO-PEG-MMAE[1].
Smiles
OC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12
Molecular Formula
C19H15NO3
Molecular Weight
305.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

11,12-Didehydro-gamma-oxodibenz[b,f]azocine-5(6H)-butanoic acid
CAS Number1353016-70-2
PubChem CID91757805
IUPAC Name4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoic acid
Molecular FormulaC19H15NO3
Molecular Weight305.3
XLogP2.3
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity529
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)O
InChI
InChI=1S/C19H15NO3/c21-18(11-12-19(22)23)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13H2,(H,22,23)
InChIKey
NDLOVDOICXITOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 11,12-Didehydro-gamma-oxodibenz[b,f]azocine-5(6H)-butanoic acid
CAS: 1353016-70-2
CID: 91757805
Formula: C19H15NO3
MW: 305.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass305.10519334
Monoisotopic Mass305.10519334
Topological Polar Surface Area57.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity529
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

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T9282-01DBCO-C3-Acid
T89663-01DBCO-PEG24-acid
T17768-01DBCO-NHCO-PEG3-acid

Alternative Products

CatalogName
BA2370-1000DBCO-acid
BA2575-250DBCO-C3-Acid
BA2469-1000DBCO-C6-acid
HY-140269DBCO-PEG12-acid
MBS3600763-01DBCO acid 2
JH917390DBCO-PEG2-acid
JH917393DBCO-PEG1-acid
JH917403DBCO-PEG4-Acid
BIPG2543-01DBCO-PEG8-acid
M11435DBCO acid 1

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