S518-0858 Screening compound: 3-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole

S518-0858 Screening compound: 3-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
S518-0858 Screening compound: 3-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S518-0858
3-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-5-(phenoxymethyl)-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

S518-0858

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

3-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole

IUPAC name

3-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-5-(phenoxymethyl)-124-oxadiazole

SMILES

Cn1c(C(N(C2)CC2c2noc(COc3ccccc3)n2)=O)ccc1

InChI

InChI=1S/C18H18N4O3/c1-21-9-5-8-15(21)18(23)22-10-13(11-22)17-19-16(25-20-17)12-24-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3

InChI Key

BDLHSYIBJAZGRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-2.99

Polar Surface Area

58.072

Acid Dissociation Constant (pKa)

28.29

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

S518-0858 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S518-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S518-0858?
Check Price and Availability of S518-0858, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S518-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S518-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S518-0858
  • 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 S518-0858 available by request