D345-0846 Screening compound: N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-ethoxybenzamide

D345-0846 Screening compound: N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-ethoxybenzamide
D345-0846 Screening compound: N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0846
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-ethoxybenzamide

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

D345-0846

Molecular Formula

C22H28ClN3O2 (C22 H28 ClN3 O2)

Compound Name

N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-ethoxybenzamide

IUPAC name

N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-ethoxybenzamide

SMILES

CCOc1cccc(C(NCC(c(cc2)ccc2Cl)N2CCN(C)CC2)=O)c1

InChI

InChI=1S/C22H28ClN3O2/c1-3-28-20-6-4-5-18(15-20)22(27)24-16-21(17-7-9-19(23)10-8-17)26-13-11-25(2)12-14-26/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,24,27)/t21-/m0/s1

InChI Key

HEMPPTOBYXGURI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD12921334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-4.03

Polar Surface Area

38.241

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D345-0846 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D345-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0846?
Check Price and Availability of D345-0846, 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 D345-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0846
  • 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 D345-0846 available by request