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Chemical structure of TB 21007

GC17934

TB 21007

Also known as 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(1,3-thiazol-2-yl)-5,7-dihydro-2-benzothiophen-4-one

GABAA receptor inverse agonist

ChemicalCAS207306-50-1MW339.5FormulaC15H17NO2S3
CAS number
207306-50-1
Molecular weight
339.5
Formula
C15H17NO2S3
Solubility
＜8·49mg/ml in ethanol; ＜33·95mg/ml in DMSO
InChIKey
QILRYFCEXLFIDS-UHFFFAOYSA-N
Catalogue number
GC17934
Brand
GLPBIO
Computed properties PubChem CID 6918633 · XLogP 3.4 · TPSA 132 Ų · H-bond donors 1
XLogP
3.4
TPSA
132 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

SMILES CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C3=NC=CS3)C

Computed descriptors from PubChem (CID 6918633), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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