SC88-2199 Screening compound: 2-butyryl-8-[3-(4-methoxybenzyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-2199 Screening compound: 2-butyryl-8-[3-(4-methoxybenzyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-2199 Screening compound: 2-butyryl-8-[3-(4-methoxybenzyl)-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 SC88-2199
2-butyryl-8-[3-(4-methoxybenzyl)-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

SC88-2199

Molecular Formula

C20H25N3O5S (C20 H25 N3 O5 S)

Compound Name

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

IUPAC name

2-butanoyl-8-{3-[(4-methoxyphenyl)methyl]-124-oxadiazol-5-yl}-5lambda6-thia-2-azaspiro[3.4]octane-55-dione

SMILES

CCCC(N(C1)CC1(C(CC1)c2nc(Cc(cc3)ccc3OC)no2)S1(=O)=O)=O

InChI

InChI=1S/C20H25N3O5S/c1-3-4-18(24)23-12-20(13-23)16(9-10-29(20,25)26)19-21-17(22-28-19)11-14-5-7-15(27-2)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1

InChI Key

XWMBFQBJPBZSRK-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.327

Water Solubility, LogSw

-2.62

Polar Surface Area

85.581

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with SC88-2199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-2199?
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What is the minimum amount of SC88-2199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-2199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-2199
  • 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 SC88-2199 available by request