S321-0072 Screening compound: 2-(3-bromobenzoyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

S321-0072 Screening compound: 2-(3-bromobenzoyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
S321-0072 Screening compound: 2-(3-bromobenzoyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S321-0072
2-(3-bromobenzoyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

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

S321-0072

Molecular Formula

C17H21BrN2O2 (C17 H21 BrN2 O2)

Compound Name

2-(3-bromobenzoyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

IUPAC name

2-(3-bromobenzoyl)-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

SMILES

CNC(C(C1)C2(CCCC2)CN1C(c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C17H21BrN2O2/c1-19-15(21)14-10-20(11-17(14)7-2-3-8-17)16(22)12-5-4-6-13(18)9-12/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,19,21)/t14-/m0/s1

InChI Key

DECPVROBYKEBHA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27643204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.943

Distribution Coefficient, logD

1.943

Water Solubility, LogSw

-2.60

Polar Surface Area

42.241

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

S321-0072 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

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

Protein-Protein Interaction Library (218420 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:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S321-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S321-0072?
Check Price and Availability of S321-0072, 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 S321-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S321-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S321-0072
  • 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 S321-0072 available by request