E143-0127 Screening compound: 4-[(4-fluorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Chemical Structure Depiction of ChemDiv screening compound E143-0127
4-[(4-fluorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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
E143-0127
Molecular Formula
C23H14F4N4O (C23 H14 F4 N4 O)
Compound Name
4-[(4-fluorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
IUPAC name
4-[(4-fluorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one
SMILES
O=C1N(Cc(cc2)ccc2F)c2nnc(-c3ccc(C(F)(F)F)cc3)n2-c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
438.38
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.033
Distribution Coefficient, logD
5.033
Water Solubility, LogSw
-4.89
Polar Surface Area
38.730
Acid Dissociation Constant (pKa)
20.95
Base Dissociation Constant (pKb)
-2.97
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
8.70
E143-0127 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral Library (67538 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Phosphatases
References: we are preparing a list of scientific research reports with E143-0127 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)