SC42-0568 Screening compound: 1,2-dimethyl-1H-imidazol-4-yl (4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl) sulfone

SC42-0568 Screening compound: 1,2-dimethyl-1H-imidazol-4-yl (4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl) sulfone
SC42-0568 Screening compound: 1,2-dimethyl-1H-imidazol-4-yl (4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0568
1,2-dimethyl-1H-imidazol-4-yl (4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl) 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

SC42-0568

Molecular Formula

C19H29N5O5S (C19 H29 N5 O5 S)

Compound Name

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

IUPAC name

9-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-{[5-(methoxymethyl)-124-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane

SMILES

Cc1nc(S(N(CC2)CCC22OCCC(Cc3noc(COC)n3)C2)(=O)=O)cn1C

InChI

InChI=1S/C19H29N5O5S/c1-14-20-18(12-23(14)2)30(25,26)24-7-5-19(6-8-24)11-15(4-9-28-19)10-16-21-17(13-27-3)29-22-16/h12,15H,4-11,13H2,1-3H3/t15-/m0/s1

InChI Key

QOGFDOAWEFNVOO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32258619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-1.75

Polar Surface Area

91.658

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SC42-0568 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC42-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0568?
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What is the minimum amount of SC42-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0568
  • 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 SC42-0568 available by request