SC88-1684 Screening compound: 8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-1684 Screening compound: 8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-1684 Screening compound: 8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC88-1684
8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methyl-1H-pyrrol-2-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

SC88-1684

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cccc(-c2noc(C(CC3)C(C4)(CN4C(c4cccn4C)=O)S3(=O)=O)n2)c1

InChI

InChI=1S/C21H22N4O4S/c1-14-5-3-6-15(11-14)18-22-19(29-23-18)16-8-10-30(27,28)21(16)12-25(13-21)20(26)17-7-4-9-24(17)2/h3-7,9,11,16H,8,10,12-13H2,1-2H3/t16-/m0/s1

InChI Key

DBNHYJDNECSBLN-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.77

Polar Surface Area

79.719

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SC88-1684 in Drug Discovery

Included in Screening Libraries

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 SC88-1684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-1684?
Check Price and Availability of SC88-1684, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC88-1684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-1684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-1684
  • 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 SC88-1684 available by request