SC42-0477 Screening compound: 4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-pyridyl) sulfone

SC42-0477 Screening compound: 4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-pyridyl) sulfone
SC42-0477 Screening compound: 4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-pyridyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0477
4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-pyridyl) 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

SC42-0477

Molecular Formula

C20H28N4O4S (C20 H28 N4 O4 S)

Compound Name

4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl (3-pyridyl) sulfone

IUPAC name

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

SMILES

CC(C)c1nc(CC2CC(CC3)(CCN3S(c3cnccc3)(=O)=O)OCC2)no1

InChI

InChI=1S/C20H28N4O4S/c1-15(2)19-22-18(23-28-19)12-16-5-11-27-20(13-16)6-9-24(10-7-20)29(25,26)17-4-3-8-21-14-17/h3-4,8,14-16H,5-7,9-13H2,1-2H3/t16-/m0/s1

InChI Key

LNGMDQSDSAWXIF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32258017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.06

Polar Surface Area

80.737

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SC42-0477 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 SC42-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0477?
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What is the minimum amount of SC42-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0477
  • 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 SC42-0477 available by request