SC42-0064 Screening compound: 2-cyclohexyl-1-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone

SC42-0064 Screening compound: 2-cyclohexyl-1-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone
SC42-0064 Screening compound: 2-cyclohexyl-1-{4-[(5-methyl-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 SC42-0064
2-cyclohexyl-1-{4-[(5-methyl-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

SC42-0064

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(CC2CC(CC3)(CCN3C(CC3CCCCC3)=O)OCC2)no1

InChI

InChI=1S/C21H33N3O3/c1-16-22-19(23-27-16)13-18-7-12-26-21(15-18)8-10-24(11-9-21)20(25)14-17-5-3-2-4-6-17/h17-18H,2-15H2,1H3/t18-/m0/s1

InChI Key

VIUWEGJAPLVHMG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32258370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.51

Polar Surface Area

55.049

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

SC42-0064 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 SC42-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0064?
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What is the minimum amount of SC42-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0064
  • 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 SC42-0064 available by request