SC42-0074 Screening compound: N~9~,N~9~-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide

SC42-0074 Screening compound: N~9~,N~9~-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide
SC42-0074 Screening compound: N~9~,N~9~-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0074
N~9~,N~9~-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-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

SC42-0074

Molecular Formula

C15H26N4O4S (C15 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(CC2CC(CC3)(CCN3S(N(C)C)(=O)=O)OCC2)no1

InChI

InChI=1S/C15H26N4O4S/c1-12-16-14(17-23-12)10-13-4-9-22-15(11-13)5-7-19(8-6-15)24(20,21)18(2)3/h13H,4-11H2,1-3H3/t13-/m0/s1

InChI Key

HDUYVIPXDMWGDI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32258489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.304

Distribution Coefficient, logD

1.304

Water Solubility, LogSw

-1.74

Polar Surface Area

74.806

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.67

SC42-0074 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 SC42-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0074?
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What is the minimum amount of SC42-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0074
  • 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 SC42-0074 available by request