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Chemical structure of PACMA 31

GC50102

PACMA 31

Also known as ethyl 2-[[2-(2,4-dimethoxy-N-prop-2-ynoylanilino)-2-thiophen-2-ylacetyl]amino]acetate

Irreversible protein disulfide isomerase (PDI) inhibitor

ChemicalCAS1401089-31-3MW430.47FormulaC21H22N2O6S
CAS number
1401089-31-3
Molecular weight
430.47
Formula
C21H22N2O6S
Solubility
DMSO： 100 mM
InChIKey
AHOOZADJPNUFOQ-UHFFFAOYSA-N
Catalogue number
GC50102
Brand
GLPBIO
Computed properties PubChem CID 66555902 · XLogP 2.7 · TPSA 122 Ų · H-bond donors 1
XLogP
2.7
TPSA
122 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30

SMILES CCOC(=O)CNC(=O)C(C1=CC=CS1)N(C2=C(C=C(C=C2)OC)OC)C(=O)C#C

Computed descriptors from PubChem (CID 66555902), 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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