V002-1908 Screening compound: methyl 4-{4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate

V002-1908 Screening compound: methyl 4-{4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate
V002-1908 Screening compound: methyl 4-{4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1908
methyl 4-{4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate

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

V002-1908

Molecular Formula

C28H27ClF2N2O4 (C28 H27 ClF2 N2 O4)

Compound Name

methyl 4-{4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate

IUPAC name

methyl 4-{4-[2-(4-chlorophenyl)-2-[(26-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate

SMILES

COC(c(cc1)ccc1C(N1CCN(CC(c(cc2)ccc2Cl)OCc(c(F)ccc2)c2F)CC1)=O)=O

InChI

InChI=1S/C28H27ClF2N2O4/c1-36-28(35)21-7-5-20(6-8-21)27(34)33-15-13-32(14-16-33)17-26(19-9-11-22(29)12-10-19)37-18-23-24(30)3-2-4-25(23)31/h2-12,26H,13-18H2,1H3/t26-/m0/s1

InChI Key

KBEWKRRPYWRVIX-SANMLTNESA-N

MDL Number (MFCD)

MFCD19954643

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-5.20

Polar Surface Area

48.481

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V002-1908 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-1908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1908?
Check Price and Availability of V002-1908, 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 V002-1908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1908
  • 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 V002-1908 available by request