V030-9695 Screening compound: 2-(benzyloxy)-1-{4-[(4-fluorophenyl)(phenyl)methyl]piperazino}-1-ethanone

V030-9695 Screening compound: 2-(benzyloxy)-1-{4-[(4-fluorophenyl)(phenyl)methyl]piperazino}-1-ethanone
V030-9695 Screening compound: 2-(benzyloxy)-1-{4-[(4-fluorophenyl)(phenyl)methyl]piperazino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9695
2-(benzyloxy)-1-{4-[(4-fluorophenyl)(phenyl)methyl]piperazino}-1-ethanone

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

V030-9695

Molecular Formula

C26H27FN2O2 (C26 H27 FN2 O2)

Compound Name

2-(benzyloxy)-1-{4-[(4-fluorophenyl)(phenyl)methyl]piperazino}-1-ethanone

IUPAC name

2-(benzyloxy)-1-{4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(COCc1ccccc1)N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1F

InChI

InChI=1S/C26H27FN2O2/c27-24-13-11-23(12-14-24)26(22-9-5-2-6-10-22)29-17-15-28(16-18-29)25(30)20-31-19-21-7-3-1-4-8-21/h1-14,26H,15-20H2/t26-/m0/s1

InChI Key

MEKVSODMCAGZQI-SANMLTNESA-N

MDL Number (MFCD)

MFCD19962947

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.29

Polar Surface Area

27.355

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.92

V030-9695 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V030-9695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9695?
Check Price and Availability of V030-9695, 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 V030-9695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9695
  • 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 V030-9695 available by request