SD03-0118 Screening compound: 2-[8-isobutyryl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]dec-2-yl]-N-[3-(4-methylpiperidino)propyl]acetamide

SD03-0118 Screening compound: 2-[8-isobutyryl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]dec-2-yl]-N-[3-(4-methylpiperidino)propyl]acetamide
SD03-0118 Screening compound: 2-[8-isobutyryl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]dec-2-yl]-N-[3-(4-methylpiperidino)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD03-0118
2-[8-isobutyryl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]dec-2-yl]-N-[3-(4-methylpiperidino)propyl]acetamide

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

SD03-0118

Molecular Formula

C26H44N6O3 (C26 H44 N6 O3)

Compound Name

2-[8-isobutyryl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]dec-2-yl]-N-[3-(4-methylpiperidino)propyl]acetamide

IUPAC name

2-[3-(3-methyl-124-oxadiazol-5-yl)-8-(2-methylpropanoyl)-28-diazaspiro[4.5]decan-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

SMILES

CC(C)C(N1CCC(C2)(CN(CC(NCCCN3CCC(C)CC3)=O)C2c2nc(C)no2)CC1)=O

InChI

InChI=1S/C26H44N6O3/c1-19(2)25(34)31-14-8-26(9-15-31)16-22(24-28-21(4)29-35-24)32(18-26)17-23(33)27-10-5-11-30-12-6-20(3)7-13-30/h19-20,22H,5-18H2,1-4H3,(H,27,33)/t22-/m1/s1

InChI Key

BWVLIMPORZLYKU-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

-0.963

Water Solubility, LogSw

-1.86

Polar Surface Area

80.364

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.61

SD03-0118 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 SD03-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD03-0118?
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What is the minimum amount of SD03-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD03-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD03-0118
  • 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 SD03-0118 available by request