S544-1060 Screening compound: 4-({4-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

S544-1060 Screening compound: 4-({4-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole
S544-1060 Screening compound: 4-({4-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-1060
4-({4-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

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

S544-1060

Molecular Formula

C24H28N4O5S (C24 H28 N4 O5 S)

Compound Name

4-({4-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

IUPAC name

4-({4-[3-(2-phenoxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl}sulfonyl)-213-benzoxadiazole

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)N1CC(CCOc2ccccc2)CC1

InChI

InChI=1S/C24H28N4O5S/c29-24(27-13-9-18(17-27)12-16-32-20-5-2-1-3-6-20)19-10-14-28(15-11-19)34(30,31)22-8-4-7-21-23(22)26-33-25-21/h1-8,18-19H,9-17H2/t18-/m0/s1

InChI Key

QJNLHTFPTCDGKG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31991159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.12

Polar Surface Area

92.133

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

S544-1060 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 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
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S544-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-1060?
Check Price and Availability of S544-1060, 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 S544-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-1060
  • 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 S544-1060 available by request