S380-0682 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-propylacetamide

S380-0682 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-propylacetamide
S380-0682 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S380-0682
2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-propylacetamide

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

S380-0682

Molecular Formula

C17H29N3O3 (C17 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CN(C(C(CC1)(CCC1C(C)(C)C)N1)=O)C1=O)=O

InChI

InChI=1S/C17H29N3O3/c1-5-10-18-13(21)11-20-14(22)17(19-15(20)23)8-6-12(7-9-17)16(2,3)4/h12H,5-11H2,1-4H3,(H,18,21)(H,19,23)

InChI Key

FWOBVWXWICKGJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15212489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-2.58

Polar Surface Area

66.422

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

82.40

S380-0682 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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

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

References: we are preparing a list of scientific research reports with S380-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S380-0682?
Check Price and Availability of S380-0682, 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 S380-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S380-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S380-0682
  • 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 S380-0682 available by request