4092-0566 Screening compound: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

4092-0566 Screening compound: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine
4092-0566 Screening compound: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0566
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

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

4092-0566

Molecular Formula

C21H25FN2O3 (C21 H25 FN2 O3)

Compound Name

1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

IUPAC name

1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

SMILES

CCOc(cc(CN(CC1)CCN1C(c(cc1)ccc1F)=O)cc1)c1OC

InChI

InChI=1S/C21H25FN2O3/c1-3-27-20-14-16(4-9-19(20)26-2)15-23-10-12-24(13-11-23)21(25)17-5-7-18(22)8-6-17/h4-9,14H,3,10-13,15H2,1-2H3

InChI Key

ITPRNBVUGVLXGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214158

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-2.62

Polar Surface Area

35.268

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4092-0566 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4092-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0566?
Check Price and Availability of 4092-0566, 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 4092-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0566
  • 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 4092-0566 available by request