SC42-0348 Screening compound: 2-(2-chlorophenyl)-1-{4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone

SC42-0348 Screening compound: 2-(2-chlorophenyl)-1-{4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone
SC42-0348 Screening compound: 2-(2-chlorophenyl)-1-{4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0348
2-(2-chlorophenyl)-1-{4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone

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

SC42-0348

Molecular Formula

C24H30ClN3O3 (C24 H30 ClN3 O3)

Compound Name

2-(2-chlorophenyl)-1-{4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone

IUPAC name

2-(2-chlorophenyl)-1-{4-[(5-cyclobutyl-124-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}ethan-1-one

SMILES

O=C(Cc(cccc1)c1Cl)N(CC1)CCC11OCCC(Cc2noc(C3CCC3)n2)C1

InChI

InChI=1S/C24H30ClN3O3/c25-20-7-2-1-4-19(20)15-22(29)28-11-9-24(10-12-28)16-17(8-13-30-24)14-21-26-23(31-27-21)18-5-3-6-18/h1-2,4,7,17-18H,3,5-6,8-16H2/t17-/m0/s1

InChI Key

XKBYRMLRTKDJGM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32259086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.41

Polar Surface Area

55.881

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

SC42-0348 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 SC42-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0348?
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What is the minimum amount of SC42-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0348
  • 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 SC42-0348 available by request