S321-0198 Screening compound: N~2~-(2,5-dimethylphenyl)-N~4~-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide

S321-0198 Screening compound: N~2~-(2,5-dimethylphenyl)-N~4~-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide
S321-0198 Screening compound: N~2~-(2,5-dimethylphenyl)-N~4~-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S321-0198
N~2~-(2,5-dimethylphenyl)-N~4~-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

S321-0198

Molecular Formula

C19H27N3O2 (C19 H27 N3 O2)

Compound Name

N~2~-(2,5-dimethylphenyl)-N~4~-methyl-2-azaspiro[4.4]nonane-2,4-dicarboxamide

IUPAC name

N2-(25-dimethylphenyl)-N4-methyl-2-azaspiro[4.4]nonane-24-dicarboxamide

SMILES

Cc1cc(NC(N(C2)CC3(CCCC3)C2C(NC)=O)=O)c(C)cc1

InChI

InChI=1S/C19H27N3O2/c1-13-6-7-14(2)16(10-13)21-18(24)22-11-15(17(23)20-3)19(12-22)8-4-5-9-19/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3,(H,20,23)(H,21,24)/t15-/m0/s1

InChI Key

WQVOZLRPBPQBGT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27617910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.44

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

2.014

Distribution Coefficient, logD

2.014

Water Solubility, LogSw

-2.62

Polar Surface Area

50.364

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.89

S321-0198 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Hemic and lymphatic
  • Cardiovascular
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 S321-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S321-0198?
Check Price and Availability of S321-0198, 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 S321-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S321-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S321-0198
  • 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 S321-0198 available by request