5641-2081 Screening compound: 1-(4-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

5641-2081 Screening compound: 1-(4-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
5641-2081 Screening compound: 1-(4-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-2081
1-(4-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]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

5641-2081

Molecular Formula

C21H21F3N2O3 (C21 H21 F3 N2 O3)

Compound Name

1-(4-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

IUPAC name

1-(4-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

SMILES

COc(cc1)ccc1C(N(CC1)CCC1C(Nc1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C21H21F3N2O3/c1-29-16-8-6-15(7-9-16)20(28)26-12-10-14(11-13-26)19(27)25-18-5-3-2-4-17(18)21(22,23)24/h2-9,14H,10-13H2,1H3,(H,25,27)

InChI Key

KGKPLSGOXHHQQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03708277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

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

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.55

Polar Surface Area

46.824

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5641-2081 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5641-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-2081?
Check Price and Availability of 5641-2081, 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 5641-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-2081
  • 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 5641-2081 available by request