SC88-1519 Screening compound: 2-(3,4-difluorobenzoyl)-8-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-1519 Screening compound: 2-(3,4-difluorobenzoyl)-8-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-1519 Screening compound: 2-(3,4-difluorobenzoyl)-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 SC88-1519
2-(3,4-difluorobenzoyl)-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

SC88-1519

Molecular Formula

C20H16F2N4O4S (C20 H16 F2 N4 O4 S)

Compound Name

2-(3,4-difluorobenzoyl)-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

O=C(c(cc1)cc(F)c1F)N(C1)CC1(C(CC1)c2nc(-c3ncccc3)no2)S1(=O)=O

InChI

InChI=1S/C20H16F2N4O4S/c21-14-5-4-12(9-15(14)22)19(27)26-10-20(11-26)13(6-8-31(20,28)29)18-24-17(25-30-18)16-3-1-2-7-23-16/h1-5,7,9,13H,6,8,10-11H2/t13-/m0/s1

InChI Key

QAYVEUHHYHKBLR-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.003

Distribution Coefficient, logD

2.003

Water Solubility, LogSw

-2.70

Polar Surface Area

86.350

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

SC88-1519 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 SC88-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-1519?
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What is the minimum amount of SC88-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-1519
  • 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 SC88-1519 available by request