S544-0213 Screening compound: 3-[2-(2-fluorophenoxy)ethyl]-N-(4-methoxybenzyl)-1-pyrrolidinecarboxamide

S544-0213 Screening compound: 3-[2-(2-fluorophenoxy)ethyl]-N-(4-methoxybenzyl)-1-pyrrolidinecarboxamide
S544-0213 Screening compound: 3-[2-(2-fluorophenoxy)ethyl]-N-(4-methoxybenzyl)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-0213
3-[2-(2-fluorophenoxy)ethyl]-N-(4-methoxybenzyl)-1-pyrrolidinecarboxamide

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

S544-0213

Molecular Formula

C21H25FN2O3 (C21 H25 FN2 O3)

Compound Name

3-[2-(2-fluorophenoxy)ethyl]-N-(4-methoxybenzyl)-1-pyrrolidinecarboxamide

IUPAC name

3-[2-(2-fluorophenoxy)ethyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

SMILES

COc1ccc(CNC(N2CC(CCOc(cccc3)c3F)CC2)=O)cc1

InChI

InChI=1S/C21H25FN2O3/c1-26-18-8-6-16(7-9-18)14-23-21(25)24-12-10-17(15-24)11-13-27-20-5-3-2-4-19(20)22/h2-9,17H,10-15H2,1H3,(H,23,25)/t17-/m1/s1

InChI Key

ZNZROFVXWXVGSE-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.05

Polar Surface Area

42.106

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S544-0213 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S544-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-0213?
Check Price and Availability of S544-0213, 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 S544-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-0213
  • 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 S544-0213 available by request