S721-0808 Screening compound: 5-methoxy-2-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-1H-indole

S721-0808 Screening compound: 5-methoxy-2-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-1H-indole
S721-0808 Screening compound: 5-methoxy-2-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0808
5-methoxy-2-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-1H-indole

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

S721-0808

Molecular Formula

C24H26N4O4 (C24 H26 N4 O4)

Compound Name

5-methoxy-2-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-1H-indole

IUPAC name

5-methoxy-2-[(2S4S)-4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-1H-indole

SMILES

COc(cc1)cc2c1[nH]c(C(N(C[C@H](C1)Oc3cnccc3)[C@@H]1C(N1CCCC1)=O)=O)c2

InChI

InChI=1S/C24H26N4O4/c1-31-17-6-7-20-16(11-17)12-21(26-20)23(29)28-15-19(32-18-5-4-8-25-14-18)13-22(28)24(30)27-9-2-3-10-27/h4-8,11-12,14,19,22,26H,2-3,9-10,13,15H2,1H3/t19-,22+/m1/s1

InChI Key

YADSMIGRMQWVSB-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

2.733

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-2.89

Polar Surface Area

66.567

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

S721-0808 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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:
  • Pool
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S721-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0808?
Check Price and Availability of S721-0808, 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 S721-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0808
  • 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 S721-0808 available by request