SB52-0386 Screening compound: 1-methyl-1H-imidazol-4-yl [2-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone

SB52-0386 Screening compound: 1-methyl-1H-imidazol-4-yl [2-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone
SB52-0386 Screening compound: 1-methyl-1H-imidazol-4-yl [2-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB52-0386
1-methyl-1H-imidazol-4-yl [2-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[4.5]dec-8-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

SB52-0386

Molecular Formula

C21H26N6O3S (C21 H26 N6 O3 S)

Compound Name

1-methyl-1H-imidazol-4-yl [2-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone

IUPAC name

2-methyl-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-3-(5-phenyl-124-oxadiazol-3-yl)-28-diazaspiro[4.5]decane

SMILES

CN(CC(C1)(CC2)CCN2S(c2cn(C)cn2)(=O)=O)C1c1noc(-c2ccccc2)n1

InChI

InChI=1S/C21H26N6O3S/c1-25-13-18(22-15-25)31(28,29)27-10-8-21(9-11-27)12-17(26(2)14-21)19-23-20(30-24-19)16-6-4-3-5-7-16/h3-7,13,15,17H,8-12,14H2,1-2H3/t17-/m1/s1

InChI Key

IYDRTXKOVNXVGJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32248437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.817

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-2.25

Polar Surface Area

79.373

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SB52-0386 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB52-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB52-0386?
Check Price and Availability of SB52-0386, 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 SB52-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB52-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB52-0386
  • 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 SB52-0386 available by request