S720-0579 Screening compound: 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide

S720-0579 Screening compound: 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
S720-0579 Screening compound: 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-0579
1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(2-methoxyethyl)-4-phenoxypyrrolidine-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

S720-0579

Molecular Formula

C21H28N4O4 (C21 H28 N4 O4)

Compound Name

1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-[2-(35-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide

SMILES

Cc1cc(C)nn1CC(N(C[C@H](C1)Oc2ccccc2)[C@@H]1C(NCCOC)=O)=O

InChI

InChI=1S/C21H28N4O4/c1-15-11-16(2)25(23-15)14-20(26)24-13-18(29-17-7-5-4-6-8-17)12-19(24)21(27)22-9-10-28-3/h4-8,11,18-19H,9-10,12-14H2,1-3H3,(H,22,27)/t18-,19+/m1/s1

InChI Key

PPPJCVIBBPHRRZ-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.818

Distribution Coefficient, logD

0.818

Water Solubility, LogSw

-1.98

Polar Surface Area

69.490

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

S720-0579 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S720-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-0579?
Check Price and Availability of S720-0579, 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 S720-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-0579
  • 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 S720-0579 available by request