N-DBCO-N-bis (PEG2-C2-NHS ester)

CAT: 0931-T18410-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T18410-01Size:1 mg

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CAS Number

2128735-29-3

Target

PROTAC Linker

Related Pathways

PROTAC

Bioactivity

N-DBCO-N-bis (PEG2-C2-NHS ester) is a PEG-like PROTAC linker that can be used to synthesize PROTAC molecules, and also contains a DBCO moiety for click chemistry with azide groups.

Smiles

O=C(ON1C(=O)CCC1=O)CCOCCOCCN(C(=O)CCC(=O)N2C=3C=CC=CC3C#CC=4C=CC=CC4C2)CCOCCOCCC(=O)ON5C(=O)CCC5=O

Molecular Formula

C41H46N4O14

Molecular Weight

818.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-DBCO-N-bis(PEG2-NHS ester)

CAS Number	2128735-29-3
PubChem CID	129627657
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
Molecular Formula	C41H46N4O14
Molecular Weight	818.8
XLogP	-0.5
Topological Polar Surface Area	205
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	25
Heavy Atom Count	59
Formal Charge	0
Complexity	1490

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCN(CCOCCOCCC(=O)ON2C(=O)CCC2=O)C(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53

InChI

InChI=1S/C41H46N4O14/c46-34(11-12-35(47)43-29-32-7-2-1-5-30(32)9-10-31-6-3-4-8-33(31)43)42(19-23-56-27-25-54-21-17-40(52)58-44-36(48)13-14-37(44)49)20-24-57-28-26-55-22-18-41(53)59-45-38(50)15-16-39(45)51/h1-8H,11-29H2

InChIKey

KUJNKGPVOIXRHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2128735-29-3

CID: 129627657

Formula: C41H46N4O14

MW: 818.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	818.8
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	25
Exact Mass	818.30105215
Monoisotopic Mass	818.30105215
Topological Polar Surface Area	205 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T17767-01	DBCO-NHCO-PEG2-NHS ester
T17756-01	DBCO-NH-PEG7-C2-NHS ester
T16244-01	N- (PEG2-C2-acid) -N-bis (PEG2-propargyl)
T14632-01	Bis-PEG2-NHS ester
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Catalog	Name
HY-140585-01	N-DBCO-N-bis (PEG2-C2-NHS ester)
MBS5771269	N-DBCO-N-bis(PEG2-C2-NHS ester)
HY-145090-01	DBCO-N-bis (PEG4-NHS ester)
GTR19226280-01	N-Mal-N-bis (PEG2-NHS ester)
MBS5769621	N-Mal-N-bis(PEG2-NHS ester)
GTR19233379-01	DBCO-PEG2-NHS ester
HY-164862-01	N- (NHS ester-PEG2) -N-bis (PEG3-azide)
HY-133375	DBCO-NHCO-PEG2-NHS ester
HY-130088-01	Bis-PEG2-NHS ester
572086	Bis-PEG2-NHS ester

N-DBCO-N-bis (PEG2-C2-NHS ester)

Chemical Information

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