S544-1027 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]-1H-pyrrole

S544-1027 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]-1H-pyrrole
S544-1027 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]-1H-pyrrole alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-1027
1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]-1H-pyrrole

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

S544-1027

Molecular Formula

C26H29FN2O2 (C26 H29 FN2 O2)

Compound Name

1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]-1H-pyrrole

IUPAC name

1-[(4-fluorophenyl)methyl]-25-dimethyl-3-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]-1H-pyrrole

SMILES

Cc1cc(C(N2CC(CCOc3ccccc3)CC2)=O)c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C26H29FN2O2/c1-19-16-25(20(2)29(19)18-21-8-10-23(27)11-9-21)26(30)28-14-12-22(17-28)13-15-31-24-6-4-3-5-7-24/h3-11,16,22H,12-15,17-18H2,1-2H3/t22-/m0/s1

InChI Key

MHLAAUKNDAJUBG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31981459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-4.68

Polar Surface Area

26.254

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.62

S544-1027 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S544-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-1027?
Check Price and Availability of S544-1027, 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 S544-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-1027
  • 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 S544-1027 available by request