M027-1417 Screening compound: 8-{3-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

M027-1417 Screening compound: 8-{3-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
M027-1417 Screening compound: 8-{3-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-1417
8-{3-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}-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

M027-1417

Molecular Formula

C19H23N3O7S (C19 H23 N3 O7 S)

Compound Name

8-{3-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{3-[2-(4-methoxybenzenesulfonyl)ethyl]-124-oxadiazole-5-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

COc(cc1)ccc1S(CCc1noc(C(N(CC2)CCC22OCCO2)=O)n1)(=O)=O

InChI

InChI=1S/C19H23N3O7S/c1-26-14-2-4-15(5-3-14)30(24,25)13-6-16-20-17(29-21-16)18(23)22-9-7-19(8-10-22)27-11-12-28-19/h2-5H,6-13H2,1H3

InChI Key

KMKGGVZRRGXPKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.729

Distribution Coefficient, logD

0.729

Water Solubility, LogSw

-2.15

Polar Surface Area

100.572

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

M027-1417 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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 M027-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-1417?
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What is the minimum amount of M027-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-1417
  • 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 M027-1417 available by request