S721-0096 Screening compound: 4-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

S721-0096 Screening compound: 4-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine
S721-0096 Screening compound: 4-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0096
4-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

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

S721-0096

Molecular Formula

C20H25N5O4 (C20 H25 N5 O4)

Compound Name

4-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

IUPAC name

4-[(2S4S)-1-(15-dimethyl-1H-pyrazole-3-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

SMILES

Cc1cc(C(N(C[C@H](C2)Oc3cnccc3)[C@@H]2C(N2CCOCC2)=O)=O)nn1C

InChI

InChI=1S/C20H25N5O4/c1-14-10-17(22-23(14)2)19(26)25-13-16(29-15-4-3-5-21-12-15)11-18(25)20(27)24-6-8-28-9-7-24/h3-5,10,12,16,18H,6-9,11,13H2,1-2H3/t16-,18+/m1/s1

InChI Key

RCDJEWZQWNPNIU-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.261

Distribution Coefficient, logD

-0.273

Water Solubility, LogSw

-0.62

Polar Surface Area

71.703

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S721-0096 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)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S721-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0096?
Check Price and Availability of S721-0096, 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 S721-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0096
  • 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 S721-0096 available by request