V008-6016 Screening compound: ethyl 5-(4-{2-(4-chlorophenyl)-2-[(2,6-difluorobenzyl)oxy]ethyl}piperazino)-5-oxopentanoate

V008-6016 Screening compound: ethyl 5-(4-{2-(4-chlorophenyl)-2-[(2,6-difluorobenzyl)oxy]ethyl}piperazino)-5-oxopentanoate
V008-6016 Screening compound: ethyl 5-(4-{2-(4-chlorophenyl)-2-[(2,6-difluorobenzyl)oxy]ethyl}piperazino)-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6016
ethyl 5-(4-{2-(4-chlorophenyl)-2-[(2,6-difluorobenzyl)oxy]ethyl}piperazino)-5-oxopentanoate

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

V008-6016

Molecular Formula

C26H31ClF2N2O4 (C26 H31 ClF2 N2 O4)

Compound Name

ethyl 5-(4-{2-(4-chlorophenyl)-2-[(2,6-difluorobenzyl)oxy]ethyl}piperazino)-5-oxopentanoate

IUPAC name

ethyl 5-{4-[2-(4-chlorophenyl)-2-[(26-difluorophenyl)methoxy]ethyl]piperazin-1-yl}-5-oxopentanoate

SMILES

CCOC(CCCC(N1CCN(CC(c(cc2)ccc2Cl)OCc(c(F)ccc2)c2F)CC1)=O)=O

InChI

InChI=1S/C26H31ClF2N2O4/c1-2-34-26(33)8-4-7-25(32)31-15-13-30(14-16-31)17-24(19-9-11-20(27)12-10-19)35-18-21-22(28)5-3-6-23(21)29/h3,5-6,9-12,24H,2,4,7-8,13-18H2,1H3/t24-/m0/s1

InChI Key

ZBVNOONTUYJZHS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19952595

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.99

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

3.915

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-4.71

Polar Surface Area

47.211

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

V008-6016 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V008-6016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6016?
Check Price and Availability of V008-6016, 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 V008-6016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6016
  • 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 V008-6016 available by request