SC42-0543 Screening compound: 4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl morpholino sulfone

SC42-0543 Screening compound: 4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl morpholino sulfone
SC42-0543 Screening compound: 4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl morpholino sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0543
4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl morpholino 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

SC42-0543

Molecular Formula

C19H32N4O5S (C19 H32 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nc(CC2CC(CC3)(CCN3S(N3CCOCC3)(=O)=O)OCC2)no1

InChI

InChI=1S/C19H32N4O5S/c1-15(2)18-20-17(21-28-18)13-16-3-10-27-19(14-16)4-6-22(7-5-19)29(24,25)23-8-11-26-12-9-23/h15-16H,3-14H2,1-2H3/t16-/m0/s1

InChI Key

HUNPZWDSPUUZJC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32258498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-2.24

Polar Surface Area

81.533

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

89.47

SC42-0543 in Drug Discovery

Included in Screening Libraries

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 SC42-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0543?
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What is the minimum amount of SC42-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0543
  • 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 SC42-0543 available by request