S051-0249 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}propan-1-one

S051-0249 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}propan-1-one
S051-0249 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S051-0249
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}propan-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

S051-0249

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}propan-1-one

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-{3-[3-(3-phenyl-124-oxadiazol-5-yl)phenoxy]azetidin-1-yl}propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(C1)CC1Oc1cc(-c2nc(-c3ccccc3)no2)ccc1)=O

InChI

InChI=1S/C25H25N5O3/c1-17-13-18(2)30(27-17)12-11-23(31)29-15-22(16-29)32-21-10-6-9-20(14-21)25-26-24(28-33-25)19-7-4-3-5-8-19/h3-10,13-14,22H,11-12,15-16H2,1-2H3

InChI Key

YBTHECJWALCYIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.20

Polar Surface Area

68.210

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

S051-0249 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S051-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S051-0249?
Check Price and Availability of S051-0249, 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 S051-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S051-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S051-0249
  • 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 S051-0249 available by request