S544-1224 Screening compound: 4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine

S544-1224 Screening compound: 4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine
S544-1224 Screening compound: 4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-1224
4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine

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

S544-1224

Molecular Formula

C24H36FN3O4S (C24 H36 FN3 O4 S)

Compound Name

4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine

IUPAC name

4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine

SMILES

CC(CC1)CCN1S(N(CC1)CCC1C(N1CC(CCOc(cc2)ccc2F)CC1)=O)(=O)=O

InChI

InChI=1S/C24H36FN3O4S/c1-19-6-13-27(14-7-19)33(30,31)28-15-9-21(10-16-28)24(29)26-12-8-20(18-26)11-17-32-23-4-2-22(25)3-5-23/h2-5,19-21H,6-18H2,1H3/t20-/m0/s1

InChI Key

SMTFWIVZDRNNEO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31961541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.55

Polar Surface Area

58.449

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.83

S544-1224 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S544-1224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-1224?
Check Price and Availability of S544-1224, 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 S544-1224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-1224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-1224
  • 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 S544-1224 available by request