4120-0459 Screening compound: N-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-(3-phenylpropyl)piperidine-3-carboxamide

4120-0459 Screening compound: N-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-(3-phenylpropyl)piperidine-3-carboxamide
4120-0459 Screening compound: N-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-(3-phenylpropyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4120-0459
N-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-(3-phenylpropyl)piperidine-3-carboxamide

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

4120-0459

Molecular Formula

C27H36N2O3 (C27 H36 N2 O3)

Compound Name

N-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-(3-phenylpropyl)piperidine-3-carboxamide

IUPAC name

N-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-(3-phenylpropyl)piperidine-3-carboxamide

SMILES

COc(ccc(NC(C1CN(CCCc2ccccc2)CCC1)=O)c1)c1OC1CCCC1

InChI

InChI=1S/C27H36N2O3/c1-31-25-16-15-23(19-26(25)32-24-13-5-6-14-24)28-27(30)22-12-8-18-29(20-22)17-7-11-21-9-3-2-4-10-21/h2-4,9-10,15-16,19,22,24H,5-8,11-14,17-18,20H2,1H3,(H,28,30)/t22-/m0/s1

InChI Key

PALBNMBVMCQMAC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01855201

Chemical and Physical Properties

Saltdata

HOOCCH=CHCOOH

Molecular Weight

436.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.49

Polar Surface Area

41.511

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

4120-0459 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4120-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4120-0459?
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What is the minimum amount of 4120-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4120-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4120-0459
  • 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 4120-0459 available by request