SD03-0418 Screening compound: 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-(4-propylpiperazino)-1-ethanone

SD03-0418 Screening compound: 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-(4-propylpiperazino)-1-ethanone
SD03-0418 Screening compound: 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-(4-propylpiperazino)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD03-0418
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-(4-propylpiperazino)-1-ethanone

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

SD03-0418

Molecular Formula

C21H36N6O4S (C21 H36 N6 O4 S)

Compound Name

2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-(4-propylpiperazino)-1-ethanone

IUPAC name

2-[8-methanesulfonyl-3-(3-methyl-124-oxadiazol-5-yl)-28-diazaspiro[4.5]decan-2-yl]-1-(4-propylpiperazin-1-yl)ethan-1-one

SMILES

CCCN(CC1)CCN1C(CN(CC(C1)(CC2)CCN2S(C)(=O)=O)C1c1nc(C)no1)=O

InChI

InChI=1S/C21H36N6O4S/c1-4-7-24-10-12-25(13-11-24)19(28)15-26-16-21(5-8-27(9-6-21)32(3,29)30)14-18(26)20-22-17(2)23-31-20/h18H,4-16H2,1-3H3/t18-/m1/s1

InChI Key

HWJDESAULBFIPE-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.224

Distribution Coefficient, logD

0.042

Water Solubility, LogSw

-1.43

Polar Surface Area

86.807

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

SD03-0418 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 SD03-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD03-0418?
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What is the minimum amount of SD03-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD03-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD03-0418
  • 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 SD03-0418 available by request