S664-1661 Screening compound: 2-{[7-(2H-1,3-benzodioxole-5-carbonyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide

S664-1661 Screening compound: 2-{[7-(2H-1,3-benzodioxole-5-carbonyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide
S664-1661 Screening compound: 2-{[7-(2H-1,3-benzodioxole-5-carbonyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-1661
2-{[7-(2H-1,3-benzodioxole-5-carbonyl)-7-azaspiro[3.5]nonan-1-yl]oxy}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

S664-1661

Molecular Formula

C18H22N2O5 (C18 H22 N2 O5)

Compound Name

2-{[7-(2H-1,3-benzodioxole-5-carbonyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide

IUPAC name

2-{[7-(2H-13-benzodioxole-5-carbonyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide

SMILES

NC(COC(CC1)C1(CC1)CCN1C(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C18H22N2O5/c19-16(21)10-23-15-3-4-18(15)5-7-20(8-6-18)17(22)12-1-2-13-14(9-12)25-11-24-13/h1-2,9,15H,3-8,10-11H2,(H2,19,21)/t15-/m0/s1

InChI Key

XQRQDCZNIWTKRD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30459324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.336

Distribution Coefficient, logD

0.336

Water Solubility, LogSw

-1.63

Polar Surface Area

74.598

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S664-1661 in Drug Discovery

Included in Screening Libraries

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

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S664-1661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-1661?
Check Price and Availability of S664-1661, 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 S664-1661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-1661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-1661
  • 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 S664-1661 available by request