V002-1199 Screening compound: ethyl 4-{4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-yl}-4-oxobutanoate
Chemical Structure Depiction of ChemDiv screening compound V002-1199
ethyl 4-{4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-yl}-4-oxobutanoate
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
V002-1199
Molecular Formula
C26H30ClF3N2O4 (C26 H30 ClF3 N2 O4)
Compound Name
ethyl 4-{4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-yl}-4-oxobutanoate
IUPAC name
ethyl 4-{4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-yl}-4-oxobutanoate
SMILES
CCOC(CCC(N1CCN(CC(c(cc2)ccc2Cl)OCc2ccc(C(F)(F)F)cc2)CC1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
526.98
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.309
Distribution Coefficient, logD
4.303
Water Solubility, LogSw
-4.76
Polar Surface Area
47.211
Acid Dissociation Constant (pKa)
23.09
Base Dissociation Constant (pKb)
5.54
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.20
References: we are preparing a list of scientific research reports with V002-1199 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)