V031-0745 Screening compound: 4-[(4-chlorophenyl)(phenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

V031-0745 Screening compound: 4-[(4-chlorophenyl)(phenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
V031-0745 Screening compound: 4-[(4-chlorophenyl)(phenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0745
4-[(4-chlorophenyl)(phenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

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

V031-0745

Molecular Formula

C25H25ClFN3O (C25 H25 ClFN3 O)

Compound Name

4-[(4-chlorophenyl)(phenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

IUPAC name

4-[(4-chlorophenyl)(phenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

SMILES

O=C(NCc(cccc1)c1F)N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Cl

InChI

InChI=1S/C25H25ClFN3O/c26-22-12-10-20(11-13-22)24(19-6-2-1-3-7-19)29-14-16-30(17-15-29)25(31)28-18-21-8-4-5-9-23(21)27/h1-13,24H,14-18H2,(H,28,31)/t24-/m0/s1

InChI Key

PNOAZIPONCHSRX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19963343

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.315

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-6.23

Polar Surface Area

29.591

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V031-0745 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V031-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0745?
Check Price and Availability of V031-0745, 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 V031-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0745
  • 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 V031-0745 available by request