SC88-1858 Screening compound: 2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-8-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-1858 Screening compound: 2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-8-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-1858 Screening compound: 2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-8-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC88-1858
2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-8-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

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

SC88-1858

Molecular Formula

C20H21N5O5S (C20 H21 N5 O5 S)

Compound Name

2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-8-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

IUPAC name

n/a

SMILES

Cc1noc(C)c1CC(N(C1)CC1(C(CC1)c2nc(-c3ncccc3)no2)S1(=O)=O)=O

InChI

InChI=1S/C20H21N5O5S/c1-12-14(13(2)29-23-12)9-17(26)25-10-20(11-25)15(6-8-31(20,27)28)19-22-18(24-30-19)16-5-3-4-7-21-16/h3-5,7,15H,6,8-11H2,1-2H3/t15-/m0/s1

InChI Key

DVAJVMFSCACTBZ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.131

Distribution Coefficient, logD

1.131

Water Solubility, LogSw

-2.23

Polar Surface Area

107.861

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SC88-1858 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC88-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-1858?
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What is the minimum amount of SC88-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-1858
  • 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 SC88-1858 available by request