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Chemical structure of FR183998 free base

GC33895

FR183998 free base

Also known as 3-N-(diaminomethylidene)-5-(2,5-dichlorothiophen-3-yl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

FR183998 free base is a potent Na+/H+-exchange inhibitor, with IC50s of 0·3 nM, 3·1 nM and 6·5 nM by measurement of pHi change in rat lymphocytes, rat and human platelets, respectively

ChemicalCAS239440-20-1MW428.34FormulaC17H19Cl2N5O2S
CAS number
239440-20-1
Molecular weight
428.34
Formula
C17H19Cl2N5O2S
Solubility
Soluble in DMSO
InChIKey
WRLFHDDGGGWFLH-UHFFFAOYSA-N
Catalogue number
GC33895
Brand
GLPBIO
Computed properties PubChem CID 6918361 · XLogP 3.4 · TPSA 142 Ų · H-bond donors 3
XLogP
3.4
TPSA
142 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

SMILES CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(SC(=C2)Cl)Cl)C(=O)N=C(N)N

Computed descriptors from PubChem (CID 6918361), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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