SC88-2221 Screening compound: 8-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methyl-1,3-oxazol-4-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-2221 Screening compound: 8-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methyl-1,3-oxazol-4-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-2221 Screening compound: 8-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methyl-1,3-oxazol-4-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC88-2221
8-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methyl-1,3-oxazol-4-yl)carbonyl]-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

SC88-2221

Molecular Formula

C20H19FN4O5S (C20 H19 FN4 O5 S)

Compound Name

8-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methyl-1,3-oxazol-4-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

IUPAC name

8-{3-[(2-fluorophenyl)methyl]-124-oxadiazol-5-yl}-2-(2-methyl-13-oxazole-4-carbonyl)-5lambda6-thia-2-azaspiro[3.4]octane-55-dione

SMILES

Cc1nc(C(N(C2)CC2(C(CC2)c3nc(Cc(cccc4)c4F)no3)S2(=O)=O)=O)co1

InChI

InChI=1S/C20H19FN4O5S/c1-12-22-16(9-29-12)19(26)25-10-20(11-25)14(6-7-31(20,27)28)18-23-17(24-30-18)8-13-4-2-3-5-15(13)21/h2-5,9,14H,6-8,10-11H2,1H3/t14-/m0/s1

InChI Key

FKXPPVDWFHNMMO-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.45

Polar Surface Area

96.261

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

SC88-2221 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 SC88-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-2221?
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What is the minimum amount of SC88-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-2221
  • 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 SC88-2221 available by request