S969-0204 Screening compound: 2-ethyl-N-(2-methoxyethyl)-1-oxo-8-{[4-(propan-2-yl)phenyl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

S969-0204 Screening compound: 2-ethyl-N-(2-methoxyethyl)-1-oxo-8-{[4-(propan-2-yl)phenyl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
S969-0204 Screening compound: 2-ethyl-N-(2-methoxyethyl)-1-oxo-8-{[4-(propan-2-yl)phenyl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S969-0204
2-ethyl-N-(2-methoxyethyl)-1-oxo-8-{[4-(propan-2-yl)phenyl]methyl}-2,8-diazaspiro[4.5]decane-3-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

S969-0204

Molecular Formula

C24H37N3O3 (C24 H37 N3 O3)

Compound Name

2-ethyl-N-(2-methoxyethyl)-1-oxo-8-{[4-(propan-2-yl)phenyl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

2-ethyl-N-(2-methoxyethyl)-1-oxo-8-{[4-(propan-2-yl)phenyl]methyl}-28-diazaspiro[4.5]decane-3-carboxamide

SMILES

CCN(C(CC12CCN(Cc3ccc(C(C)C)cc3)CC2)C(NCCOC)=O)C1=O

InChI

InChI=1S/C24H37N3O3/c1-5-27-21(22(28)25-12-15-30-4)16-24(23(27)29)10-13-26(14-11-24)17-19-6-8-20(9-7-19)18(2)3/h6-9,18,21H,5,10-17H2,1-4H3,(H,25,28)/t21-/m1/s1

InChI Key

CACWIAPSGWGGEB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32231063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

0.593

Water Solubility, LogSw

-3.12

Polar Surface Area

53.063

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S969-0204 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S969-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S969-0204?
Check Price and Availability of S969-0204, 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 S969-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S969-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S969-0204
  • 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 S969-0204 available by request