S321-0223 Screening compound: N2-(4-bromophenyl)-N4-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide

S321-0223 Screening compound: N2-(4-bromophenyl)-N4-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide
S321-0223 Screening compound: N2-(4-bromophenyl)-N4-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S321-0223
N2-(4-bromophenyl)-N4-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide

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

S321-0223

Molecular Formula

C17H22BrN3O2 (C17 H22 BrN3 O2)

Compound Name

N2-(4-bromophenyl)-N4-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide

IUPAC name

N2-(4-bromophenyl)-N4-methyl-2-azaspiro[4.4]nonane-24-dicarboxamide

SMILES

CNC(C(C1)C2(CCCC2)CN1C(Nc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C17H22BrN3O2/c1-19-15(22)14-10-21(11-17(14)8-2-3-9-17)16(23)20-13-6-4-12(18)5-7-13/h4-7,14H,2-3,8-11H2,1H3,(H,19,22)(H,20,23)/t14-/m0/s1

InChI Key

MOYDROSLNJTVQI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27617919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.410

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.97

Polar Surface Area

51.062

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

S321-0223 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with S321-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S321-0223?
Check Price and Availability of S321-0223, 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 S321-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S321-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S321-0223
  • 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 S321-0223 available by request