S544-0046 Screening compound: N-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide

S544-0046 Screening compound: N-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide
S544-0046 Screening compound: N-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-0046
N-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrrolidine-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

S544-0046

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

N-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide

IUPAC name

N-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide

SMILES

COc(cc1)ccc1NC(N1CC(CCOc2ccccc2)CC1)=O

InChI

InChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)21-20(23)22-13-11-16(15-22)12-14-25-19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3,(H,21,23)/t16-/m0/s1

InChI Key

SHCPEAJMXCMCHL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31993379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.12

Polar Surface Area

40.697

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S544-0046 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S544-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-0046?
Check Price and Availability of S544-0046, 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 S544-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-0046
  • 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 S544-0046 available by request