S553-0194 Screening compound: 8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

S553-0194 Screening compound: 8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone
S553-0194 Screening compound: 8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0194
8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

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

S553-0194

Molecular Formula

C7H10N2O4S (C7 H10 N2 O4 S)

Compound Name

8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

IUPAC name

8lambda6-thia-13-diazaspiro[4.5]decane-2488-tetrone

SMILES

O=C(C(CC1)(CCS1(=O)=O)N1)NC1=O

InChI

InChI=1S/C7H10N2O4S/c10-5-7(9-6(11)8-5)1-3-14(12,13)4-2-7/h1-4H2,(H2,8,9,10,11)

InChI Key

JVWBXSSEPJUHCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16040229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.825

Distribution Coefficient, logD

-1.825

Water Solubility, LogSw

-1.10

Polar Surface Area

78.549

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

S553-0194 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 S553-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0194?
Check Price and Availability of S553-0194, 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 S553-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0194
  • 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 S553-0194 available by request