5641-2106 Screening compound: 1-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

5641-2106 Screening compound: 1-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
5641-2106 Screening compound: 1-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-2106
1-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-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

5641-2106

Molecular Formula

C21H23ClN2O3 (C21 H23 ClN2 O3)

Compound Name

1-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

COc1ccc(CNC(C(CC2)CCN2C(c(cc2)ccc2Cl)=O)=O)cc1

InChI

InChI=1S/C21H23ClN2O3/c1-27-19-8-2-15(3-9-19)14-23-20(25)16-10-12-24(13-11-16)21(26)17-4-6-18(22)7-5-17/h2-9,16H,10-14H2,1H3,(H,23,25)

InChI Key

YJCDWWRDWWRGHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

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

2.683

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.55

Polar Surface Area

48.844

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5641-2106 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5641-2106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-2106?
Check Price and Availability of 5641-2106, 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 5641-2106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-2106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-2106
  • 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 5641-2106 available by request