S380-0567 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N,N-diethylacetamide

S380-0567 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N,N-diethylacetamide
S380-0567 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S380-0567
2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N,N-diethylacetamide

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

S380-0567

Molecular Formula

C18H31N3O3 (C18 H31 N3 O3)

Compound Name

2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N,N-diethylacetamide

IUPAC name

2-{8-tert-butyl-24-dioxo-13-diazaspiro[4.5]decan-3-yl}-NN-diethylacetamide

SMILES

CCN(CC)C(CN(C(C(CC1)(CCC1C(C)(C)C)N1)=O)C1=O)=O

InChI

InChI=1S/C18H31N3O3/c1-6-20(7-2)14(22)12-21-15(23)18(19-16(21)24)10-8-13(9-11-18)17(3,4)5/h13H,6-12H2,1-5H3,(H,19,24)

InChI Key

FOKOHRAMTGFSNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17539106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-2.62

Polar Surface Area

57.513

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.30

S380-0567 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Endocrine
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S380-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S380-0567?
Check Price and Availability of S380-0567, 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 S380-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S380-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S380-0567
  • 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 S380-0567 available by request