S544-1048 Screening compound: 1-acetyl-N-{4-oxo-4-[3-(2-phenoxyethyl)pyrrolidin-1-yl]butyl}-2,3-dihydro-1H-indole-5-sulfonamide

S544-1048 Screening compound: 1-acetyl-N-{4-oxo-4-[3-(2-phenoxyethyl)pyrrolidin-1-yl]butyl}-2,3-dihydro-1H-indole-5-sulfonamide
S544-1048 Screening compound: 1-acetyl-N-{4-oxo-4-[3-(2-phenoxyethyl)pyrrolidin-1-yl]butyl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-1048
1-acetyl-N-{4-oxo-4-[3-(2-phenoxyethyl)pyrrolidin-1-yl]butyl}-2,3-dihydro-1H-indole-5-sulfonamide

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

S544-1048

Molecular Formula

C26H33N3O5S (C26 H33 N3 O5 S)

Compound Name

1-acetyl-N-{4-oxo-4-[3-(2-phenoxyethyl)pyrrolidin-1-yl]butyl}-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-acetyl-N-{4-oxo-4-[3-(2-phenoxyethyl)pyrrolidin-1-yl]butyl}-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(NCCCC(N1CC(CCOc2ccccc2)CC1)=O)(=O)=O)=O

InChI

InChI=1S/C26H33N3O5S/c1-20(30)29-16-12-22-18-24(9-10-25(22)29)35(32,33)27-14-5-8-26(31)28-15-11-21(19-28)13-17-34-23-6-3-2-4-7-23/h2-4,6-7,9-10,18,21,27H,5,8,11-17,19H2,1H3/t21-/m0/s1

InChI Key

HXBPQPNVFJCRIX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29011982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.68

Polar Surface Area

82.095

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

S544-1048 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S544-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-1048?
Check Price and Availability of S544-1048, 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 S544-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-1048
  • 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 S544-1048 available by request