S929-4511 Screening compound: 2-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}methyl)-5-phenyl-1,3,4-oxadiazole

S929-4511 Screening compound: 2-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}methyl)-5-phenyl-1,3,4-oxadiazole
S929-4511 Screening compound: 2-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}methyl)-5-phenyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S929-4511
2-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}methyl)-5-phenyl-1,3,4-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

S929-4511

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

2-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}methyl)-5-phenyl-1,3,4-oxadiazole

IUPAC name

2-({1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}methyl)-5-phenyl-134-oxadiazole

SMILES

COc1ccc(C2(CC2)C(N2CC(Cc3nnc(-c4ccccc4)o3)CC2)=O)cc1

InChI

InChI=1S/C24H25N3O3/c1-29-20-9-7-19(8-10-20)24(12-13-24)23(28)27-14-11-17(16-27)15-21-25-26-22(30-21)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3/t17-/m0/s1

InChI Key

HGKZZQZWUPACLE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31953802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.86

Polar Surface Area

54.891

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S929-4511 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)

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 S929-4511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S929-4511?
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What is the minimum amount of S929-4511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S929-4511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S929-4511
  • 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 S929-4511 available by request