S556-0941 Screening compound: 3-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-5-(oxan-4-yl)-1,2,4-oxadiazole

S556-0941 Screening compound: 3-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-5-(oxan-4-yl)-1,2,4-oxadiazole
S556-0941 Screening compound: 3-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-5-(oxan-4-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S556-0941
3-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-5-(oxan-4-yl)-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

S556-0941

Molecular Formula

C23H21F2N3O4 (C23 H21 F2 N3 O4)

Compound Name

3-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-5-(oxan-4-yl)-1,2,4-oxadiazole

IUPAC name

3-(4-{[1-(25-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-5-(oxan-4-yl)-124-oxadiazole

SMILES

O=C(c(cc(cc1)F)c1F)N(C1)CC1Oc(cc1)ccc1-c1noc(C2CCOCC2)n1

InChI

InChI=1S/C23H21F2N3O4/c24-16-3-6-20(25)19(11-16)23(29)28-12-18(13-28)31-17-4-1-14(2-5-17)21-26-22(32-27-21)15-7-9-30-10-8-15/h1-6,11,15,18H,7-10,12-13H2

InChI Key

NDNYMCBYGPRLCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31985011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.41

Polar Surface Area

62.853

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

S556-0941 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S556-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S556-0941?
Check Price and Availability of S556-0941, 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 S556-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S556-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S556-0941
  • 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 S556-0941 available by request