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Chemical structure of Diaveridine

GC32343

Diaveridine

Also listed as Diaveridine (EGIS-5645)

Diaveridine (EGIS-5645) (EGIS-5645) is a dihydrofolate reductase (DHFR) inhibitor with a Ki of 11·5 nM for the wild type DHFR and also an antibacterial agent

ChemicalCAS5355-16-8MW260.29FormulaC13H16N4O2
CAS number
5355-16-8
Molecular weight
260.29
Formula
C13H16N4O2
Solubility
DMSO ： 32 mg/mL (122·94 mM)
InChIKey
LDBTVAXGKYIFHO-UHFFFAOYSA-N
Catalogue number
GC32343
Brand
GLPBIO
Computed properties PubChem CID 21453 · XLogP 1 · TPSA 96.3 Ų · H-bond donors 2
XLogP
1
TPSA
96.3 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

SMILES COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

Computed descriptors from PubChem (CID 21453), 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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