S380-0063 Screening compound: ethyl 2-(2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamido)benzoate

S380-0063 Screening compound: ethyl 2-(2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamido)benzoate
S380-0063 Screening compound: ethyl 2-(2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S380-0063
ethyl 2-(2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamido)benzoate

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

S380-0063

Molecular Formula

C19H23N3O5 (C19 H23 N3 O5)

Compound Name

ethyl 2-(2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{24-dioxo-13-diazaspiro[4.5]decan-3-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C(C1(CCCCC1)N1)=O)C1=O)=O)=O

InChI

InChI=1S/C19H23N3O5/c1-2-27-16(24)13-8-4-5-9-14(13)20-15(23)12-22-17(25)19(21-18(22)26)10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,20,23)(H,21,26)

InChI Key

MVMJOKZRASVVLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05340245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.98

Polar Surface Area

85.042

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

S380-0063 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S380-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S380-0063?
Check Price and Availability of S380-0063, 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 S380-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S380-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S380-0063
  • 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 S380-0063 available by request