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Chemical structure of C004019

GC70805

C004019

Also known as (2R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C004019 is a small-molecule PROTAC

ChemicalCAS2417159-57-8MW1035.29FormulaC49H70N12O9S2
CAS number
2417159-57-8
Molecular weight
1035.29
Formula
C49H70N12O9S2
Solubility
DMSO ： 50 mg/mL (48·30 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
IXTMPMLKABNFTQ-LLIFGLRNSA-N
Catalogue number
GC70805
Brand
GLPBIO
Computed properties PubChem CID 164889480 · XLogP 3.5 · TPSA 302 Ų · H-bond donors 5
XLogP
3.5
TPSA
302 Ų
H-bond donors
5
H-bond acceptors
18
Rotatable bonds
26
Heavy atoms
72

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)CN(C)C4=NC(=NC(=N4)N5CCCN(CC5)C(=O)C)NCCC6=CC=CS6)O

Computed descriptors from PubChem (CID 164889480), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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