S721-1034 Screening compound: N-cyclopropyl-1-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-1034 Screening compound: N-cyclopropyl-1-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-1034 Screening compound: N-cyclopropyl-1-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1034
N-cyclopropyl-1-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-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

S721-1034

Molecular Formula

C20H22F3N5O3 (C20 H22 F3 N5 O3)

Compound Name

N-cyclopropyl-1-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-N-cyclopropyl-1-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

Cc1cc(C(F)(F)F)nn1CC(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(NC1CC1)=O)=O

InChI

InChI=1S/C20H22F3N5O3/c1-12-7-17(20(21,22)23)26-28(12)11-18(29)27-10-15(31-14-3-2-6-24-9-14)8-16(27)19(30)25-13-4-5-13/h2-3,6-7,9,13,15-16H,4-5,8,10-11H2,1H3,(H,25,30)/t15-,16+/m1/s1

InChI Key

OVBCXHUNCQRDBK-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.085

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-1.43

Polar Surface Area

70.802

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S721-1034 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

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

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

References: we are preparing a list of scientific research reports with S721-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1034?
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What is the minimum amount of S721-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1034
  • 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 S721-1034 available by request