SC88-2122 Screening compound: 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxypropanoyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-2122 Screening compound: 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxypropanoyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-2122 Screening compound: 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxypropanoyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC88-2122
8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxypropanoyl)-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

SC88-2122

Molecular Formula

C18H20ClN3O5S (C18 H20 ClN3 O5 S)

Compound Name

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

IUPAC name

8-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-2-(3-methoxypropanoyl)-5lambda6-thia-2-azaspiro[3.4]octane-55-dione

SMILES

COCCC(N(C1)CC1(C(CC1)c2nc(-c(cc3)ccc3Cl)no2)S1(=O)=O)=O

InChI

InChI=1S/C18H20ClN3O5S/c1-26-8-6-15(23)22-10-18(11-22)14(7-9-28(18,24)25)17-20-16(21-27-17)12-2-4-13(19)5-3-12/h2-5,14H,6-11H2,1H3/t14-/m1/s1

InChI Key

XDSRPQSFETXNQK-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-3.00

Polar Surface Area

85.389

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC88-2122 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 SC88-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-2122?
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What is the minimum amount of SC88-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-2122
  • 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 SC88-2122 available by request