S721-0560 Screening compound: (2S,4S)-N~2~-(2-methoxyethyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

S721-0560 Screening compound: (2S,4S)-N~2~-(2-methoxyethyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide
S721-0560 Screening compound: (2S,4S)-N~2~-(2-methoxyethyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0560
(2S,4S)-N~2~-(2-methoxyethyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-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

S721-0560

Molecular Formula

C13H19N3O3 (C13 H19 N3 O3)

Compound Name

(2S,4S)-N~2~-(2-methoxyethyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S4S)-N-(2-methoxyethyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

COCCNC([C@H](C1)NC[C@H]1Oc1cnccc1)=O

InChI

InChI=1S/C13H19N3O3/c1-18-6-5-15-13(17)12-7-11(9-16-12)19-10-3-2-4-14-8-10/h2-4,8,11-12,16H,5-7,9H2,1H3,(H,15,17)/t11-,12+/m1/s1

InChI Key

TXFOGCDHAZMMGF-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.777

Distribution Coefficient, logD

-0.821

Water Solubility, LogSw

-0.64

Polar Surface Area

61.488

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

S721-0560 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S721-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0560?
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What is the minimum amount of S721-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0560
  • 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 S721-0560 available by request