SC88-0857 Screening compound: 2-[(3-methyl-2-pyridyl)carbonyl]-8-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-0857 Screening compound: 2-[(3-methyl-2-pyridyl)carbonyl]-8-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-0857 Screening compound: 2-[(3-methyl-2-pyridyl)carbonyl]-8-[3-(4-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 SC88-0857
2-[(3-methyl-2-pyridyl)carbonyl]-8-[3-(4-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

SC88-0857

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccnc1C(N(C1)CC1(C(CC1)c2nc(-c3ccncc3)no2)S1(=O)=O)=O

InChI

InChI=1S/C20H19N5O4S/c1-13-3-2-7-22-16(13)19(26)25-11-20(12-25)15(6-10-30(20,27)28)18-23-17(24-29-18)14-4-8-21-9-5-14/h2-5,7-9,15H,6,10-12H2,1H3/t15-/m0/s1

InChI Key

IAIQCELXUUAVTH-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.461

Distribution Coefficient, logD

1.461

Water Solubility, LogSw

-1.92

Polar Surface Area

96.549

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with SC88-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-0857?
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What is the minimum amount of SC88-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-0857
  • 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 SC88-0857 available by request