V002-1199 Screening compound: ethyl 4-{4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-yl}-4-oxobutanoate

V002-1199 Screening compound: ethyl 4-{4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-yl}-4-oxobutanoate
V002-1199 Screening compound: ethyl 4-{4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-yl}-4-oxobutanoate alternative view

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

InChI=1S/C26H30ClF3N2O4/c1-2-35-25(34)12-11-24(33)32-15-13-31(14-16-32)17-23(20-5-9-22(27)10-6-20)36-18-19-3-7-21(8-4-19)26(28,29)30/h3-10,23H,2,11-18H2,1H3/t23-/m0/s1

InChI Key

IEZHEDXAEILIIH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19952557

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

How to purchase chemical compound V002-1199?
Check Price and Availability of V002-1199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1199
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V002-1199 available by request