F819-0561 Screening compound: 4-(4-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}benzenesulfonyl)morpholine

F819-0561 Screening compound: 4-(4-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}benzenesulfonyl)morpholine
F819-0561 Screening compound: 4-(4-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}benzenesulfonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound F819-0561
4-(4-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}benzenesulfonyl)morpholine

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

F819-0561

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

4-(4-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}benzenesulfonyl)morpholine

IUPAC name

4-(4-{5-[1-(4-methoxyphenyl)cyclopropyl]-124-oxadiazol-3-yl}benzenesulfonyl)morpholine

SMILES

COc1ccc(C2(CC2)c2nc(-c(cc3)ccc3S(N3CCOCC3)(=O)=O)no2)cc1

InChI

InChI=1S/C22H23N3O5S/c1-28-18-6-4-17(5-7-18)22(10-11-22)21-23-20(24-30-21)16-2-8-19(9-3-16)31(26,27)25-12-14-29-15-13-25/h2-9H,10-15H2,1H3

InChI Key

ZVSZHSWZMWRJCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.71

Polar Surface Area

79.059

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F819-0561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F819-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F819-0561?
Check Price and Availability of F819-0561, 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 F819-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F819-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F819-0561
  • 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 F819-0561 available by request