D485-0846 Screening compound: N-{2-[(4-chlorophenyl)(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl}benzamide

D485-0846 Screening compound: N-{2-[(4-chlorophenyl)(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl}benzamide
D485-0846 Screening compound: N-{2-[(4-chlorophenyl)(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D485-0846
N-{2-[(4-chlorophenyl)(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl}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

D485-0846

Molecular Formula

C28H28ClN3O2 (C28 H28 ClN3 O2)

Compound Name

N-{2-[(4-chlorophenyl)(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl}benzamide

IUPAC name

N-{2-[(4-chlorophenyl)(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl}benzamide

SMILES

CCN(CC1)CCN1C(c(oc1c2cccc1)c2NC(c1ccccc1)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C28H28ClN3O2/c1-2-31-16-18-32(19-17-31)26(20-12-14-22(29)15-13-20)27-25(23-10-6-7-11-24(23)34-27)30-28(33)21-8-4-3-5-9-21/h3-15,26H,2,16-19H2,1H3,(H,30,33)/t26-/m1/s1

InChI Key

IREIZBRQKPFTQN-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14832150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-5.81

Polar Surface Area

36.750

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D485-0846 in Drug Discovery

Included in Screening Libraries

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 D485-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D485-0846?
Check Price and Availability of D485-0846, 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 D485-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D485-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D485-0846
  • 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 D485-0846 available by request