4239-0748 Screening compound: N-(4-fluorophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamide

4239-0748 Screening compound: N-(4-fluorophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamide
4239-0748 Screening compound: N-(4-fluorophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4239-0748
N-(4-fluorophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamide

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

4239-0748

Molecular Formula

C22H26FN3O (C22 H26 FN3 O)

Compound Name

N-(4-fluorophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamide

IUPAC name

N-(4-fluorophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamide

SMILES

O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc(cc1)ccc1F

InChI

InChI=1S/C22H26FN3O/c23-20-8-10-21(11-9-20)24-22(27)12-14-26-17-15-25(16-18-26)13-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,24,27)

InChI Key

YSBMSPZIGCRNGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.53

Polar Surface Area

30.618

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

4239-0748 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4239-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4239-0748?
Check Price and Availability of 4239-0748, 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 4239-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4239-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4239-0748
  • 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 4239-0748 available by request