S664-0222 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

S664-0222 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
S664-0222 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-7-azaspiro[3.5]nonane-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-0222
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-7-azaspiro[3.5]nonane-7-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

S664-0222

Molecular Formula

C18H24N2O4 (C18 H24 N2 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

SMILES

COC(CC1)C1(CC1)CCN1C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C18H24N2O4/c1-22-16-4-5-18(16)6-8-20(9-7-18)17(21)19-13-2-3-14-15(12-13)24-11-10-23-14/h2-3,12,16H,4-11H2,1H3,(H,19,21)/t16-/m0/s1

InChI Key

SIBWQHJPUCHHAM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30464947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.970

Distribution Coefficient, logD

0.970

Water Solubility, LogSw

-2.09

Polar Surface Area

48.783

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S664-0222 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S664-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-0222?
Check Price and Availability of S664-0222, 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 S664-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-0222
  • 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 S664-0222 available by request