SC88-2044 Screening compound: 2-(2-cyclopropylacetyl)-8-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-2044 Screening compound: 2-(2-cyclopropylacetyl)-8-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-2044 Screening compound: 2-(2-cyclopropylacetyl)-8-[3-(2-fluorobenzyl)-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 SC88-2044
2-(2-cyclopropylacetyl)-8-[3-(2-fluorobenzyl)-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

SC88-2044

Molecular Formula

C20H22FN3O4S (C20 H22 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC1CC1)N(C1)CC1(C(CC1)c2nc(Cc(cccc3)c3F)no2)S1(=O)=O

InChI

InChI=1S/C20H22FN3O4S/c21-16-4-2-1-3-14(16)10-17-22-19(28-23-17)15-7-8-29(26,27)20(15)11-24(12-20)18(25)9-13-5-6-13/h1-4,13,15H,5-12H2/t15-/m0/s1

InChI Key

LMKTZXOLPVAHAU-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.410

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.70

Polar Surface Area

78.289

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SC88-2044 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 SC88-2044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-2044?
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What is the minimum amount of SC88-2044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-2044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-2044
  • 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 SC88-2044 available by request