S721-1021 Screening compound: 1-(2-cyclopentylacetyl)-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-1021 Screening compound: 1-(2-cyclopentylacetyl)-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-1021 Screening compound: 1-(2-cyclopentylacetyl)-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1021
1-(2-cyclopentylacetyl)-N-cyclopropyl-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

S721-1021

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

1-(2-cyclopentylacetyl)-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-(2-cyclopentylacetyl)-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

O=C(CC1CCCC1)N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(NC1CC1)=O

InChI

InChI=1S/C20H27N3O3/c24-19(10-14-4-1-2-5-14)23-13-17(26-16-6-3-9-21-12-16)11-18(23)20(25)22-15-7-8-15/h3,6,9,12,14-15,17-18H,1-2,4-5,7-8,10-11,13H2,(H,22,25)/t17-,18+/m1/s1

InChI Key

NYEPGEANYWSRSZ-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-2.01

Polar Surface Area

57.160

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S721-1021 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S721-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1021?
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What is the minimum amount of S721-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1021
  • 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 S721-1021 available by request