S051-0015 Screening compound: 1-(2-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanyl}-2-oxoethyl)dihydro-1H-pyrrole-2,5-dione

S051-0015 Screening compound: 1-(2-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanyl}-2-oxoethyl)dihydro-1H-pyrrole-2,5-dione
S051-0015 Screening compound: 1-(2-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanyl}-2-oxoethyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S051-0015
1-(2-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanyl}-2-oxoethyl)dihydro-1H-pyrrole-2,5-dione

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

S051-0015

Molecular Formula

C18H18N4O5 (C18 H18 N4 O5)

Compound Name

1-(2-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanyl}-2-oxoethyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(2-{3-[3-(3-methyl-124-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-2-oxoethyl)pyrrolidine-25-dione

SMILES

Cc1noc(-c2cccc(OC(C3)CN3C(CN(C(CC3)=O)C3=O)=O)c2)n1

InChI

InChI=1S/C18H18N4O5/c1-11-19-18(27-20-11)12-3-2-4-13(7-12)26-14-8-21(9-14)17(25)10-22-15(23)5-6-16(22)24/h2-4,7,14H,5-6,8-10H2,1H3

InChI Key

SNGFOCPGBUZJOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.329

Distribution Coefficient, logD

-0.329

Water Solubility, LogSw

-1.62

Polar Surface Area

84.461

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

S051-0015 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S051-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S051-0015?
Check Price and Availability of S051-0015, 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 S051-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S051-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S051-0015
  • 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 S051-0015 available by request