V004-5981 Screening compound: 1-{4-[bis(4-chlorophenyl)methyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one

V004-5981 Screening compound: 1-{4-[bis(4-chlorophenyl)methyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
V004-5981 Screening compound: 1-{4-[bis(4-chlorophenyl)methyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5981
1-{4-[bis(4-chlorophenyl)methyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one

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

V004-5981

Molecular Formula

C25H23Cl2FN2O (C25 H23 Cl2 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cc1)ccc1F)N(CC1)CCN1C(c(cc1)ccc1Cl)c(cc1)ccc1Cl

InChI

InChI=1S/C25H23Cl2FN2O/c26-21-7-3-19(4-8-21)25(20-5-9-22(27)10-6-20)30-15-13-29(14-16-30)24(31)17-18-1-11-23(28)12-2-18/h1-12,25H,13-17H2

InChI Key

OVZZTCDJXGFHCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963204

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.852

Distribution Coefficient, logD

5.851

Water Solubility, LogSw

-6.41

Polar Surface Area

18.921

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V004-5981 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with V004-5981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5981?
Check Price and Availability of V004-5981, 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 V004-5981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5981
  • 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 V004-5981 available by request