S667-0343 Screening compound: 1-ethyl-4-(isoquinoline-1-carbonyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

S667-0343 Screening compound: 1-ethyl-4-(isoquinoline-1-carbonyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
S667-0343 Screening compound: 1-ethyl-4-(isoquinoline-1-carbonyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S667-0343
1-ethyl-4-(isoquinoline-1-carbonyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

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

S667-0343

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

1-ethyl-4-(isoquinoline-1-carbonyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

IUPAC name

1-ethyl-4-(isoquinoline-1-carbonyl)-9-oxa-14-diazaspiro[5.5]undecan-2-one

SMILES

CCN(C1(CCOCC1)CN(C1)C(c2nccc3ccccc23)=O)C1=O

InChI

InChI=1S/C20H23N3O3/c1-2-23-17(24)13-22(14-20(23)8-11-26-12-9-20)19(25)18-16-6-4-3-5-15(16)7-10-21-18/h3-7,10H,2,8-9,11-14H2,1H3

InChI Key

MBSHRZZIEGTNTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.458

Distribution Coefficient, logD

1.458

Water Solubility, LogSw

-2.21

Polar Surface Area

50.130

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S667-0343 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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 S667-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S667-0343?
Check Price and Availability of S667-0343, 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 S667-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S667-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S667-0343
  • 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 S667-0343 available by request