E632-0277 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide

E632-0277 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide
E632-0277 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0277
N-(5-chloro-2-methoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-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

E632-0277

Molecular Formula

C23H28ClN3O2 (C23 H28 ClN3 O2)

Compound Name

N-(5-chloro-2-methoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(N1CCC(CN(CC2)Cc3c2cccc3)CC1)=O

InChI

InChI=1S/C23H28ClN3O2/c1-29-22-7-6-20(24)14-21(22)25-23(28)27-12-8-17(9-13-27)15-26-11-10-18-4-2-3-5-19(18)16-26/h2-7,14,17H,8-13,15-16H2,1H3,(H,25,28)

InChI Key

MPHPQIYWMBXTST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-4.73

Polar Surface Area

36.035

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E632-0277 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E632-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0277?
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What is the minimum amount of E632-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0277
  • 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 E632-0277 available by request