S544-1123 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}piperidine

S544-1123 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}piperidine
S544-1123 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-1123
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}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

S544-1123

Molecular Formula

C23H30FN3O5S (C23 H30 FN3 O5 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}piperidine

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-{3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}piperidine

SMILES

Cc1noc(C)c1S(N(CC1)CCC1C(N1CC(CCOc(cccc2)c2F)CC1)=O)(=O)=O

InChI

InChI=1S/C23H30FN3O5S/c1-16-22(17(2)32-25-16)33(29,30)27-12-8-19(9-13-27)23(28)26-11-7-18(15-26)10-14-31-21-6-4-3-5-20(21)24/h3-6,18-19H,7-15H2,1-2H3/t18-/m0/s1

InChI Key

AATKIADHJJNDPV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31986242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

2.718

Water Solubility, LogSw

-3.13

Polar Surface Area

78.168

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

S544-1123 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

KRAS-Targeted Library (16000 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S544-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-1123?
Check Price and Availability of S544-1123, 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 S544-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-1123
  • 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 S544-1123 available by request