S721-0931 Screening compound: 3-{[5-(pyrrolidine-1-carbonyl)-1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]oxy}pyridine

S721-0931 Screening compound: 3-{[5-(pyrrolidine-1-carbonyl)-1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]oxy}pyridine
S721-0931 Screening compound: 3-{[5-(pyrrolidine-1-carbonyl)-1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]oxy}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0931
3-{[5-(pyrrolidine-1-carbonyl)-1-(thiophene-2-sulfonyl)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

S721-0931

Molecular Formula

C18H21N3O4S2 (C18 H21 N3 O4 S2)

Compound Name

3-{[5-(pyrrolidine-1-carbonyl)-1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]oxy}pyridine

IUPAC name

3-{[(3S5S)-5-(pyrrolidine-1-carbonyl)-1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]oxy}pyridine

SMILES

O=C([C@H](C[C@@H](C1)Oc2cnccc2)N1S(c1cccs1)(=O)=O)N1CCCC1

InChI

InChI=1S/C18H21N3O4S2/c22-18(20-8-1-2-9-20)16-11-15(25-14-5-3-7-19-12-14)13-21(16)27(23,24)17-6-4-10-26-17/h3-7,10,12,15-16H,1-2,8-9,11,13H2/t15-,16+/m1/s1

InChI Key

LRDHEZOUZLJOCJ-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

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

1.697

Distribution Coefficient, logD

1.693

Water Solubility, LogSw

-1.67

Polar Surface Area

66.532

Acid Dissociation Constant (pKa)

19.86

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

S721-0931 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

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

References: we are preparing a list of scientific research reports with S721-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0931?
Check Price and Availability of S721-0931, 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 S721-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0931
  • 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 S721-0931 available by request