SC42-0382 Screening compound: 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl cyclopropyl sulfone

SC42-0382 Screening compound: 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl cyclopropyl sulfone
SC42-0382 Screening compound: 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl cyclopropyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0382
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl cyclopropyl 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

SC42-0382

Molecular Formula

C19H29N3O4S (C19 H29 N3 O4 S)

Compound Name

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

IUPAC name

4-[(5-cyclobutyl-124-oxadiazol-3-yl)methyl]-9-(cyclopropanesulfonyl)-1-oxa-9-azaspiro[5.5]undecane

SMILES

O=S(C1CC1)(N(CC1)CCC11OCCC(Cc2noc(C3CCC3)n2)C1)=O

InChI

InChI=1S/C19H29N3O4S/c23-27(24,16-4-5-16)22-9-7-19(8-10-22)13-14(6-11-25-19)12-17-20-18(26-21-17)15-2-1-3-15/h14-16H,1-13H2/t14-/m0/s1

InChI Key

VSNFXAIYKISZLK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32257422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.08

Polar Surface Area

71.994

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

89.47

SC42-0382 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SC42-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0382?
Check Price and Availability of SC42-0382, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC42-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0382
  • 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 SC42-0382 available by request