V017-7144 Screening compound: 4-[3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)propoxy]-3-methoxybenzonitrile

V017-7144 Screening compound: 4-[3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)propoxy]-3-methoxybenzonitrile
V017-7144 Screening compound: 4-[3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)propoxy]-3-methoxybenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7144
4-[3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)propoxy]-3-methoxybenzonitrile

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

V017-7144

Molecular Formula

C28H30FN3O2 (C28 H30 FN3 O2)

Compound Name

4-[3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)propoxy]-3-methoxybenzonitrile

IUPAC name

n/a

SMILES

COc(cc(cc1)C#N)c1OC(CCN1CCN(Cc2ccccc2)CC1)c(cc1)ccc1F

InChI

InChI=1S/C28H30FN3O2/c1-33-28-19-23(20-30)7-12-27(28)34-26(24-8-10-25(29)11-9-24)13-14-31-15-17-32(18-16-31)21-22-5-3-2-4-6-22/h2-12,19,26H,13-18,21H2,1H3/t26-/m0/s1

InChI Key

KIJWJHADFLSAOZ-SANMLTNESA-N

MDL Number (MFCD)

MFCD19928705

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.27

Polar Surface Area

38.664

Acid Dissociation Constant (pKa)

26.66

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V017-7144 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-7144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7144?
Check Price and Availability of V017-7144, 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 V017-7144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7144
  • 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 V017-7144 available by request