SC42-0629 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-N~9~,N~9~-dimethyl-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide

SC42-0629 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-N~9~,N~9~-dimethyl-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide
SC42-0629 Screening compound: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-N~9~,N~9~-dimethyl-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0629
4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-N~9~,N~9~-dimethyl-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide

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

SC42-0629

Molecular Formula

C16H28N4O5S (C16 H28 N4 O5 S)

Compound Name

4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-N~9~,N~9~-dimethyl-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide

IUPAC name

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

SMILES

CN(C)S(N(CC1)CCC11OCCC(Cc2noc(COC)n2)C1)(=O)=O

InChI

InChI=1S/C16H28N4O5S/c1-19(2)26(21,22)20-7-5-16(6-8-20)11-13(4-9-24-16)10-14-17-15(12-23-3)25-18-14/h13H,4-12H2,1-3H3/t13-/m0/s1

InChI Key

RWBRDNZJRVAQPH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32259218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.074

Distribution Coefficient, logD

1.074

Water Solubility, LogSw

-1.65

Polar Surface Area

83.667

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

87.50

SC42-0629 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 SC42-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0629?
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What is the minimum amount of SC42-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0629
  • 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 SC42-0629 available by request