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Chemical structure of Neoseptin 3

GC33405

Neoseptin 3

Also known as tert-butyl (2S)-2-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoate

Neoseptin 3 is a Toll-like receptor 4/myeloid differentiation factor 2 (mTLR4/MD-2) agonist with an EC50 of 18·5 μM

ChemicalCAS1622863-21-1MW474.59FormulaC29H34N2O4
CAS number
1622863-21-1
Molecular weight
474.59
Formula
C29H34N2O4
Solubility
DMSO: ≥ 100 mg/mL (210·71 mM)
InChIKey
OACODUCFPHHCIH-SANMLTNESA-N
Catalogue number
GC33405
Brand
GLPBIO
Computed properties PubChem CID 77461013 · XLogP 5.6 · TPSA 102 Ų · H-bond donors 3
XLogP
5.6
TPSA
102 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
35

SMILES CC(C)(C)OC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N)CCC3=CC=C(C=C3)O

Computed descriptors from PubChem (CID 77461013), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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