M020-0781 Screening compound: 8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

M020-0781 Screening compound: 8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
M020-0781 Screening compound: 8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound M020-0781
8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

M020-0781

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[3-(3-phenyl-124-oxadiazol-5-yl)benzenesulfonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=S(c1cc(-c2nc(-c3ccccc3)no2)ccc1)(N(CC1)CCC11OCCO1)=O

InChI

InChI=1S/C21H21N3O5S/c25-30(26,24-11-9-21(10-12-24)27-13-14-28-21)18-8-4-7-17(15-18)20-22-19(23-29-20)16-5-2-1-3-6-16/h1-8,15H,9-14H2

InChI Key

NBKITZTZCXRXLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.619

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.77

Polar Surface Area

77.792

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M020-0781 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M020-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M020-0781?
Check Price and Availability of M020-0781, 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 M020-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M020-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M020-0781
  • 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 M020-0781 available by request