S553-0102 Screening compound: 8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione

S553-0102 Screening compound: 8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione
S553-0102 Screening compound: 8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0102
8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-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

S553-0102

Molecular Formula

C12H20N2O2 (C12 H20 N2 O2)

Compound Name

8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione

IUPAC name

8-tert-butyl-13-diazaspiro[4.5]decane-24-dione

SMILES

CC(C)(C)C(CC1)CCC1(C(N1)=O)NC1=O

InChI

InChI=1S/C12H20N2O2/c1-11(2,3)8-4-6-12(7-5-8)9(15)13-10(16)14-12/h8H,4-7H2,1-3H3,(H2,13,14,15,16)

InChI Key

RQUKBTLNDXLLEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03960521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.132

Distribution Coefficient, logD

2.132

Water Solubility, LogSw

-2.47

Polar Surface Area

50.478

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.30

S553-0102 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S553-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0102?
Check Price and Availability of S553-0102, 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 S553-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0102
  • 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 S553-0102 available by request