SC88-1731 Screening compound: 2-cyclopentyl-8-[3-(4-methoxybenzyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-1731 Screening compound: 2-cyclopentyl-8-[3-(4-methoxybenzyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-1731 Screening compound: 2-cyclopentyl-8-[3-(4-methoxybenzyl)-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 SC88-1731
2-cyclopentyl-8-[3-(4-methoxybenzyl)-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

SC88-1731

Molecular Formula

C21H27N3O4S (C21 H27 N3 O4 S)

Compound Name

2-cyclopentyl-8-[3-(4-methoxybenzyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

IUPAC name

n/a

SMILES

COc1ccc(Cc2noc(C(CC3)C(C4)(CN4C4CCCC4)S3(=O)=O)n2)cc1

InChI

InChI=1S/C21H27N3O4S/c1-27-17-8-6-15(7-9-17)12-19-22-20(28-23-19)18-10-11-29(25,26)21(18)13-24(14-21)16-4-2-3-5-16/h6-9,16,18H,2-5,10-14H2,1H3/t18-/m0/s1

InChI Key

BXKPJTXEARLCQI-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.26

Polar Surface Area

72.840

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SC88-1731 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 SC88-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-1731?
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What is the minimum amount of SC88-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-1731
  • 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 SC88-1731 available by request