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Chemical structure of CD38 inhibitor 3

GC75594

CD38 inhibitor 3

Also known as 2-imidazol-1-yl-N-[2-(2-methoxyethoxy)pyrimidin-5-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide

CD38 inhibitor 3 (compound 1) is a potent CD38 inhibitor (IC50=11 nM)

ChemicalCAS2857868-82-5MW409.32FormulaC16H14F3N7O3
CAS number
2857868-82-5
Molecular weight
409.32
Formula
C16H14F3N7O3
Solubility
DMSO: 100 mg/mL (244·31 mM; ultrasonic and warming and heat to 60°C)
InChIKey
HETNKTFSCIEHQT-UHFFFAOYSA-N
Catalogue number
GC75594
Brand
GLPBIO
Computed properties PubChem CID 168679856 · XLogP 0.8 · TPSA 117 Ų · H-bond donors 1
XLogP
0.8
TPSA
117 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
29

SMILES COCCOC1=NC=C(C=N1)NC(=O)C2=CC(=NC(=N2)N3C=CN=C3)C(F)(F)F

Computed descriptors from PubChem (CID 168679856), 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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