SC89-0283 Screening compound: 2-(3-cyclohexylpropanoyl)-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC89-0283 Screening compound: 2-(3-cyclohexylpropanoyl)-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC89-0283 Screening compound: 2-(3-cyclohexylpropanoyl)-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC89-0283
2-(3-cyclohexylpropanoyl)-8-(piperidinomethyl)-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

SC89-0283

Molecular Formula

C21H36N2O3S (C21 H36 N2 O3 S)

Compound Name

2-(3-cyclohexylpropanoyl)-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

IUPAC name

2-(3-cyclohexylpropanoyl)-8-[(piperidin-1-yl)methyl]-5lambda6-thia-2-azaspiro[3.4]octane-55-dione

SMILES

O=C(CCC1CCCCC1)N(C1)CC1(C(CN1CCCCC1)CC1)S1(=O)=O

InChI

InChI=1S/C21H36N2O3S/c24-20(10-9-18-7-3-1-4-8-18)23-16-21(17-23)19(11-14-27(21,25)26)15-22-12-5-2-6-13-22/h18-19H,1-17H2/t19-/m0/s1

InChI Key

SNOKGGOICNJIBU-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.939

Distribution Coefficient, logD

1.687

Water Solubility, LogSw

-3.06

Polar Surface Area

49.294

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

95.24

SC89-0283 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC89-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC89-0283?
Check Price and Availability of SC89-0283, 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 SC89-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC89-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC89-0283
  • 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 SC89-0283 available by request