S380-0181 Screening compound: N-[(3-bromophenyl)methyl]-2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

S380-0181 Screening compound: N-[(3-bromophenyl)methyl]-2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
S380-0181 Screening compound: N-[(3-bromophenyl)methyl]-2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S380-0181
N-[(3-bromophenyl)methyl]-2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

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

S380-0181

Molecular Formula

C17H20BrN3O3 (C17 H20 BrN3 O3)

Compound Name

N-[(3-bromophenyl)methyl]-2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-{24-dioxo-13-diazaspiro[4.5]decan-3-yl}acetamide

SMILES

O=C(CN(C(C1(CCCCC1)N1)=O)C1=O)NCc1cccc(Br)c1

InChI

InChI=1S/C17H20BrN3O3/c18-13-6-4-5-12(9-13)10-19-14(22)11-21-15(23)17(20-16(21)24)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-11H2,(H,19,22)(H,20,24)

InChI Key

VQAWBVGIHJAWLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

2.487

Water Solubility, LogSw

-2.91

Polar Surface Area

66.309

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S380-0181 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • 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 S380-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S380-0181?
Check Price and Availability of S380-0181, 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 S380-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S380-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S380-0181
  • 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 S380-0181 available by request