V008-2778 Screening compound: ethyl 1-(2-chlorophenyl)-5-{4-[4-(2,4,6-trifluorobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound V008-2778
ethyl 1-(2-chlorophenyl)-5-{4-[4-(2,4,6-trifluorobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
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
V008-2778
Molecular Formula
C29H24ClF3N4O3 (C29 H24 ClF3 N4 O3)
Compound Name
ethyl 1-(2-chlorophenyl)-5-{4-[4-(2,4,6-trifluorobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
IUPAC name
ethyl 1-(2-chlorophenyl)-5-{4-[4-(246-trifluorobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
SMILES
CCOC(c(cc1-c(cc2)ccc2N(CC2)CCN2C(c(c(F)cc(F)c2)c2F)=O)nn1-c(cccc1)c1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
568.98
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.968
Distribution Coefficient, logD
5.968
Water Solubility, LogSw
-6.18
Polar Surface Area
53.423
Acid Dissociation Constant (pKa)
28.17
Base Dissociation Constant (pKb)
5.68
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.70
V008-2778 in Drug Discovery
Included in Screening Libraries
Serine Proteases Inhibitors Library (32732 compounds)
Antibacterial Compounds Library (13827 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Infections
- Immune system
- animal
- Proteases
References: we are preparing a list of scientific research reports with V008-2778 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)