S721-0942 Screening compound: 3-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]oxy}pyridine

S721-0942 Screening compound: 3-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]oxy}pyridine
S721-0942 Screening compound: 3-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]oxy}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0942
3-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]oxy}pyridine

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

S721-0942

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

3-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]oxy}pyridine

IUPAC name

3-{[(3S5S)-1-(23-dihydro-1H-indene-5-sulfonyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]oxy}pyridine

SMILES

O=C([C@H](C[C@@H](C1)Oc2cnccc2)N1S(c1cc(CCC2)c2cc1)(=O)=O)N1CCCC1

InChI

InChI=1S/C23H27N3O4S/c27-23(25-11-1-2-12-25)22-14-20(30-19-7-4-10-24-15-19)16-26(22)31(28,29)21-9-8-17-5-3-6-18(17)13-21/h4,7-10,13,15,20,22H,1-3,5-6,11-12,14,16H2/t20-,22+/m1/s1

InChI Key

YRNRETXLUFCISP-IRLDBZIGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.17

Polar Surface Area

65.800

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.83

S721-0942 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S721-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0942?
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What is the minimum amount of S721-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0942
  • 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 S721-0942 available by request