S721-1565 Screening compound: 1-methanesulfonyl-N-(3-phenylpropyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-1565 Screening compound: 1-methanesulfonyl-N-(3-phenylpropyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-1565 Screening compound: 1-methanesulfonyl-N-(3-phenylpropyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1565
1-methanesulfonyl-N-(3-phenylpropyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

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

S721-1565

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

1-methanesulfonyl-N-(3-phenylpropyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-methanesulfonyl-N-(3-phenylpropyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

CS(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(NCCCc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C20H25N3O4S/c1-28(25,26)23-15-18(27-17-10-6-11-21-14-17)13-19(23)20(24)22-12-5-9-16-7-3-2-4-8-16/h2-4,6-8,10-11,14,18-19H,5,9,12-13,15H2,1H3,(H,22,24)/t18-,19+/m1/s1

InChI Key

YHAPLHSFXYFTMJ-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.051

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-2.19

Polar Surface Area

72.518

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

S721-1565 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S721-1565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1565?
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What is the minimum amount of S721-1565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1565
  • 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 S721-1565 available by request