V008-0158 Screening compound: 1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(4-fluorobenzoyl)piperazine

V008-0158 Screening compound: 1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(4-fluorobenzoyl)piperazine
V008-0158 Screening compound: 1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(4-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0158
1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(4-fluorobenzoyl)piperazine

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

V008-0158

Molecular Formula

C27H28ClFN2O3 (C27 H28 ClFN2 O3)

Compound Name

1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(4-fluorobenzoyl)piperazine

IUPAC name

1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(4-fluorobenzoyl)piperazine

SMILES

COc1cccc(C(CN(CC2)CCN2C(c(cc2)ccc2F)=O)OCc2cccc(Cl)c2)c1

InChI

InChI=1S/C27H28ClFN2O3/c1-33-25-7-3-5-22(17-25)26(34-19-20-4-2-6-23(28)16-20)18-30-12-14-31(15-13-30)27(32)21-8-10-24(29)11-9-21/h2-11,16-17,26H,12-15,18-19H2,1H3/t26-/m0/s1

InChI Key

DFYGWQUDQZYJLN-SANMLTNESA-N

MDL Number (MFCD)

MFCD19954479

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-4.97

Polar Surface Area

34.851

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V008-0158 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0158?
Check Price and Availability of V008-0158, 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 V008-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0158
  • 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 V008-0158 available by request