S721-0358 Screening compound: (2S,4S)-N~2~-methyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

S721-0358 Screening compound: (2S,4S)-N~2~-methyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide
S721-0358 Screening compound: (2S,4S)-N~2~-methyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0358
(2S,4S)-N~2~-methyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-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

S721-0358

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

(2S,4S)-N~2~-methyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S4S)-N-methyl-1-[3-(3-phenyl-124-oxadiazol-5-yl)propanoyl]-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

CNC([C@H](C[C@@H](C1)Oc2cnccc2)N1C(CCc1nc(-c2ccccc2)no1)=O)=O

InChI

InChI=1S/C22H23N5O4/c1-23-22(29)18-12-17(30-16-8-5-11-24-13-16)14-27(18)20(28)10-9-19-25-21(26-31-19)15-6-3-2-4-7-15/h2-8,11,13,17-18H,9-10,12,14H2,1H3,(H,23,29)/t17-,18+/m1/s1

InChI Key

WUSGJPKOJUZTPM-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.741

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-1.35

Polar Surface Area

88.311

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.82

S721-0358 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S721-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0358?
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What is the minimum amount of S721-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0358
  • 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 S721-0358 available by request