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Chemical structure of (R)-Simurosertib

GC34994

(R)-Simurosertib

Also known as 2-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one

(R)-Simurosertib ((R)-TAK-931) is the (R)-enantiomer of Simurosertib

ChemicalCAS1330782-69-8MW341.43FormulaC17H19N5OS
CAS number
1330782-69-8
Molecular weight
341.43
Formula
C17H19N5OS
Solubility
DMSO： 75 mg/mL (219·66 mM)
InChIKey
XGVXKJKTISMIOW-CYBMUJFWSA-N
Catalogue number
GC34994
Brand
GLPBIO
Computed properties PubChem CID 136443810 · XLogP 2 · TPSA 102 Ų · H-bond donors 2
XLogP
2
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

SMILES CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)[C@H]4CC5CCN4CC5

Computed descriptors from PubChem (CID 136443810), 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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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.