5742-0618 Screening compound: 1'-{[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl}-[1,4'-bipiperidine]-4'-carboxamide

5742-0618 Screening compound: 1'-{[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl}-[1,4'-bipiperidine]-4'-carboxamide
5742-0618 Screening compound: 1'-{[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl}-[1,4'-bipiperidine]-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0618
1'-{[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl}-[1,4'-bipiperidine]-4'-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

5742-0618

Molecular Formula

C26H31ClN4O3 (C26 H31 ClN4 O3)

Compound Name

1'-{[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl}-[1,4'-bipiperidine]-4'-carboxamide

IUPAC name

1'-{[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl}-[14'-bipiperidine]-4'-carboxamide

SMILES

NC(C1(CCN(CC(Nc(ccc(Cl)c2)c2C(c2ccccc2)=O)=O)CC1)N1CCCCC1)=O

InChI

InChI=1S/C26H31ClN4O3/c27-20-9-10-22(21(17-20)24(33)19-7-3-1-4-8-19)29-23(32)18-30-15-11-26(12-16-30,25(28)34)31-13-5-2-6-14-31/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H2,28,34)(H,29,32)

InChI Key

GWUXFTBJUPTJCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.47

Polar Surface Area

77.025

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

5742-0618 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 5742-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0618?
Check Price and Availability of 5742-0618, 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 5742-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0618
  • 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 5742-0618 available by request