S633-0457 Screening compound: 3-{1-[(3-fluorobenzyl)sulfonyl]-3-azetanyl}-5-(1-methyl-2-pyrrolidinyl)-1,2,4-oxadiazole

S633-0457 Screening compound: 3-{1-[(3-fluorobenzyl)sulfonyl]-3-azetanyl}-5-(1-methyl-2-pyrrolidinyl)-1,2,4-oxadiazole
S633-0457 Screening compound: 3-{1-[(3-fluorobenzyl)sulfonyl]-3-azetanyl}-5-(1-methyl-2-pyrrolidinyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-0457
3-{1-[(3-fluorobenzyl)sulfonyl]-3-azetanyl}-5-(1-methyl-2-pyrrolidinyl)-1,2,4-oxadiazole

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

S633-0457

Molecular Formula

C17H21FN4O3S (C17 H21 FN4 O3 S)

Compound Name

3-{1-[(3-fluorobenzyl)sulfonyl]-3-azetanyl}-5-(1-methyl-2-pyrrolidinyl)-1,2,4-oxadiazole

IUPAC name

3-{1-[(3-fluorophenyl)methanesulfonyl]azetidin-3-yl}-5-(1-methylpyrrolidin-2-yl)-124-oxadiazole

SMILES

CN(CCC1)C1c1nc(C(C2)CN2S(Cc2cc(F)ccc2)(=O)=O)no1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

-0.069

Water Solubility, LogSw

-2.29

Polar Surface Area

67.392

Acid Dissociation Constant (pKa)

19.91

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S633-0457 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S633-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-0457?
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What is the minimum amount of S633-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-0457
  • 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 S633-0457 available by request