8015-1102 Screening compound: 3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
Chemical Structure Depiction of ChemDiv screening compound 8015-1102
3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
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
8015-1102
Molecular Formula
C25H20F3N3O3 (C25 H20 F3 N3 O3)
Compound Name
3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
IUPAC name
3-[4-(4-methylphenyl)-1-oxo-12-dihydrophthalazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILES
Cc(cc1)ccc1C(c1c2cccc1)=NN(CCC(Nc(cc1)ccc1OC(F)(F)F)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
467.45
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.162
Distribution Coefficient, logD
5.162
Water Solubility, LogSw
-4.96
Polar Surface Area
56.260
Acid Dissociation Constant (pKa)
12.13
Base Dissociation Constant (pKb)
4.06
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.00
8015-1102 in Drug Discovery
Included in Screening Libraries
Aurora A-B Kinases Targeted Library (9426 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Male
- Female
- Hemic and lymphatic
- Kinases
References: we are preparing a list of scientific research reports with 8015-1102 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)