SC42-0680 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl morpholino sulfone

SC42-0680 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl morpholino sulfone
SC42-0680 Screening compound: 4-{[5-(methoxymethyl)-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 SC42-0680
4-{[5-(methoxymethyl)-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

SC42-0680

Molecular Formula

C18H30N4O6S (C18 H30 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COCc1nc(CC2CC(CC3)(CCN3S(N3CCOCC3)(=O)=O)OCC2)no1

InChI

InChI=1S/C18H30N4O6S/c1-25-14-17-19-16(20-28-17)12-15-2-9-27-18(13-15)3-5-21(6-4-18)29(23,24)22-7-10-26-11-8-22/h15H,2-14H2,1H3/t15-/m0/s1

InChI Key

SWPVMZFERCPEID-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32257787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.851

Distribution Coefficient, logD

0.851

Water Solubility, LogSw

-1.44

Polar Surface Area

89.623

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.89

SC42-0680 in Drug Discovery

Included in Screening Libraries

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 SC42-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0680?
Check Price and Availability of SC42-0680, 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 SC42-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0680
  • 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 SC42-0680 available by request