S050-0269 Screening compound: 1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-2-phenylpropan-1-one

S050-0269 Screening compound: 1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-2-phenylpropan-1-one
S050-0269 Screening compound: 1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-2-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S050-0269
1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-2-phenylpropan-1-one

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

S050-0269

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-2-phenylpropan-1-one

IUPAC name

1-{3-[4-(3-methyl-124-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-2-phenylpropan-1-one

SMILES

CC(C(N(C1)CC1Oc(cc1)ccc1-c1nc(C)no1)=O)c1ccccc1

InChI

InChI=1S/C21H21N3O3/c1-14(16-6-4-3-5-7-16)21(25)24-12-19(13-24)26-18-10-8-17(9-11-18)20-22-15(2)23-27-20/h3-11,14,19H,12-13H2,1-2H3/t14-/m1/s1

InChI Key

LXBCKUNRDSFQAI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29008007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.40

Polar Surface Area

54.636

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

S050-0269 in Drug Discovery

Included in Screening Libraries

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)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S050-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S050-0269?
Check Price and Availability of S050-0269, 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 S050-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S050-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S050-0269
  • 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 S050-0269 available by request