SC88-0451 Screening compound: 8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC88-0451 Screening compound: 8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC88-0451 Screening compound: 8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC88-0451
8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-[(1-ethyl-1H-pyrazol-3-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

SC88-0451

Molecular Formula

C19H25N5O4S (C19 H25 N5 O4 S)

Compound Name

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

IUPAC name

8-(3-cyclopentyl-124-oxadiazol-5-yl)-2-(1-ethyl-1H-pyrazole-3-carbonyl)-5lambda6-thia-2-azaspiro[3.4]octane-55-dione

SMILES

CCn(cc1)nc1C(N(C1)CC1(C(CC1)c2nc(C3CCCC3)no2)S1(=O)=O)=O

InChI

InChI=1S/C19H25N5O4S/c1-2-24-9-7-15(21-24)18(25)23-11-19(12-23)14(8-10-29(19,26)27)17-20-16(22-28-17)13-5-3-4-6-13/h7,9,13-14H,2-6,8,10-12H2,1H3/t14-/m0/s1

InChI Key

IITCZCNIJLJIPG-AWEZNQCLSA-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

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.659

Distribution Coefficient, logD

1.659

Water Solubility, LogSw

-2.32

Polar Surface Area

92.246

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

SC88-0451 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 SC88-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC88-0451?
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What is the minimum amount of SC88-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC88-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC88-0451
  • 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 SC88-0451 available by request