SC42-0598 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl (2-thienyl) sulfone

SC42-0598 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl (2-thienyl) sulfone
SC42-0598 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl (2-thienyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0598
4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl (2-thienyl) sulfone

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

SC42-0598

Molecular Formula

C18H25N3O5S2 (C18 H25 N3 O5 S2)

Compound Name

4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl (2-thienyl) sulfone

IUPAC name

4-{[5-(methoxymethyl)-124-oxadiazol-3-yl]methyl}-9-(thiophene-2-sulfonyl)-1-oxa-9-azaspiro[5.5]undecane

SMILES

COCc1nc(CC2CC(CC3)(CCN3S(c3cccs3)(=O)=O)OCC2)no1

InChI

InChI=1S/C18H25N3O5S2/c1-24-13-16-19-15(20-26-16)11-14-4-9-25-18(12-14)5-7-21(8-6-18)28(22,23)17-3-2-10-27-17/h2-3,10,14H,4-9,11-13H2,1H3/t14-/m0/s1

InChI Key

HZNNONNVAOVTDK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32258975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

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

2.446

Distribution Coefficient, logD

2.446

Water Solubility, LogSw

-2.62

Polar Surface Area

80.327

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC42-0598 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC42-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0598?
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What is the minimum amount of SC42-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0598
  • 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 SC42-0598 available by request