S700-1146 Screening compound: 2-(3-fluorophenyl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)ethan-1-one

S700-1146 Screening compound: 2-(3-fluorophenyl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)ethan-1-one
S700-1146 Screening compound: 2-(3-fluorophenyl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S700-1146
2-(3-fluorophenyl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)ethan-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

S700-1146

Molecular Formula

C22H22FN3O3 (C22 H22 FN3 O3)

Compound Name

2-(3-fluorophenyl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)ethan-1-one

IUPAC name

2-(3-fluorophenyl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-124-oxadiazol-5-yl}azetidin-1-yl)ethan-1-one

SMILES

Cc1cccc(OCCc2noc(C(C3)CN3C(Cc3cccc(F)c3)=O)n2)c1

InChI

InChI=1S/C22H22FN3O3/c1-15-4-2-7-19(10-15)28-9-8-20-24-22(29-25-20)17-13-26(14-17)21(27)12-16-5-3-6-18(23)11-16/h2-7,10-11,17H,8-9,12-14H2,1H3

InChI Key

IBDBOWLGNKAROV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.52

Polar Surface Area

56.371

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

S700-1146 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
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 S700-1146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S700-1146?
Check Price and Availability of S700-1146, 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 S700-1146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S700-1146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S700-1146
  • 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 S700-1146 available by request