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Chemical structure of QDPR-IN-1

GC77007

QDPR-IN-1

Also known as 6-(diethylamino)-2,3-dihydrophthalazine-1,4-dione

QDPR-IN-1 (Compound 9b) is a potent QDPR inhibitor with an IC50 of 0·72 μM

ChemicalCAS29415-71-2MW233.27FormulaC12H15N3O2
CAS number
29415-71-2
Molecular weight
233.27
Formula
C12H15N3O2
Solubility
DMSO： 3·12 mg/mL (13·38 mM; ultrasonic and adjust pH to 4 with 1 M HCL)
InChIKey
WNYLSNZNCJLARI-UHFFFAOYSA-N
Catalogue number
GC77007
Brand
GLPBIO
Computed properties PubChem CID 686342 · XLogP 1.3 · TPSA 61.4 Ų · H-bond donors 2
XLogP
1.3
TPSA
61.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

SMILES CCN(CC)C1=CC2=C(C=C1)C(=O)NNC2=O

Computed descriptors from PubChem (CID 686342), 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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