F443-0089 Screening compound: 4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Chemical Structure Depiction of ChemDiv screening compound F443-0089
4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
F443-0089
Molecular Formula
C26H20ClN3O5 (C26 H20 ClN3 O5)
Compound Name
4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
IUPAC name
4-{3-[(4-chlorophenyl)methoxy]-6-oxo-16-dihydropyridazin-1-yl}-N-(23-dihydro-14-benzodioxin-6-yl)benzamide
SMILES
O=C(c(cc1)ccc1N(C(C=C1)=O)N=C1OCc(cc1)ccc1Cl)Nc(cc1)cc2c1OCCO2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
489.91
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.574
Distribution Coefficient, logD
3.572
Water Solubility, LogSw
-4.15
Polar Surface Area
74.627
Acid Dissociation Constant (pKa)
9.71
Base Dissociation Constant (pKb)
-0.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.50
F443-0089 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with F443-0089 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)