S721-0028 Screening compound: 2-(1H-indol-3-yl)-1-[2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl]ethan-1-one

S721-0028 Screening compound: 2-(1H-indol-3-yl)-1-[2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl]ethan-1-one
S721-0028 Screening compound: 2-(1H-indol-3-yl)-1-[2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0028
2-(1H-indol-3-yl)-1-[2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl]ethan-1-one

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

S721-0028

Molecular Formula

C24H26N4O4 (C24 H26 N4 O4)

Compound Name

2-(1H-indol-3-yl)-1-[2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(1H-indol-3-yl)-1-[(2S4S)-2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl]ethan-1-one

SMILES

O=C(Cc1c[nH]c2c1cccc2)N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(N1CCOCC1)=O

InChI

InChI=1S/C24H26N4O4/c29-23(12-17-14-26-21-6-2-1-5-20(17)21)28-16-19(32-18-4-3-7-25-15-18)13-22(28)24(30)27-8-10-31-11-9-27/h1-7,14-15,19,22,26H,8-13,16H2/t19-,22+/m1/s1

InChI Key

NIMCFIAZFFUJIN-KNQAVFIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.450

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-1.37

Polar Surface Area

66.560

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

S721-0028 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 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

Structure:
  • 3D
  • Pool
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S721-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0028?
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What is the minimum amount of S721-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0028
  • 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 S721-0028 available by request