5481-0030 Screening compound: N~1~-{[4-(2-fluorophenyl)piperazino]methyl}benzamide

5481-0030 Screening compound: N~1~-{[4-(2-fluorophenyl)piperazino]methyl}benzamide
5481-0030 Screening compound: N~1~-{[4-(2-fluorophenyl)piperazino]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5481-0030
N~1~-{[4-(2-fluorophenyl)piperazino]methyl}benzamide

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

5481-0030

Molecular Formula

C18H20FN3O (C18 H20 FN3 O)

Compound Name

N~1~-{[4-(2-fluorophenyl)piperazino]methyl}benzamide

IUPAC name

N-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}benzamide

SMILES

O=C(c1ccccc1)NCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C18H20FN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)

InChI Key

QUILCUMMYZFXBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02852900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.293

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-2.57

Polar Surface Area

32.269

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

5481-0030 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5481-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5481-0030?
Check Price and Availability of 5481-0030, 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 5481-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5481-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5481-0030
  • 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 5481-0030 available by request