D335-0879 Screening compound: N-{[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl}-4-fluorobenzamide

D335-0879 Screening compound: N-{[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl}-4-fluorobenzamide
D335-0879 Screening compound: N-{[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-0879
N-{[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl}-4-fluorobenzamide

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

D335-0879

Molecular Formula

C20H30FN3O (C20 H30 FN3 O)

Compound Name

N-{[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl}-4-fluorobenzamide

IUPAC name

N-{[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl}-4-fluorobenzamide

SMILES

CCN(CC1)CCN1C1(CNC(c(cc2)ccc2F)=O)CCCCC1

InChI

InChI=1S/C20H30FN3O/c1-2-23-12-14-24(15-13-23)20(10-4-3-5-11-20)16-22-19(25)17-6-8-18(21)9-7-17/h6-9H,2-5,10-16H2,1H3,(H,22,25)

InChI Key

HMOQGXUNPZBNJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.19

Polar Surface Area

31.422

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

D335-0879 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D335-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-0879?
Check Price and Availability of D335-0879, 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 D335-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-0879
  • 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 D335-0879 available by request