S969-0914 Screening compound: 8-[2-(4-chlorophenyl)acetyl]-2-ethyl-N-(3-methoxypropyl)-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide

S969-0914 Screening compound: 8-[2-(4-chlorophenyl)acetyl]-2-ethyl-N-(3-methoxypropyl)-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide
S969-0914 Screening compound: 8-[2-(4-chlorophenyl)acetyl]-2-ethyl-N-(3-methoxypropyl)-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S969-0914
8-[2-(4-chlorophenyl)acetyl]-2-ethyl-N-(3-methoxypropyl)-1-oxo-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

S969-0914

Molecular Formula

C23H32ClN3O4 (C23 H32 ClN3 O4)

Compound Name

8-[2-(4-chlorophenyl)acetyl]-2-ethyl-N-(3-methoxypropyl)-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-[2-(4-chlorophenyl)acetyl]-2-ethyl-N-(3-methoxypropyl)-1-oxo-28-diazaspiro[4.5]decane-3-carboxamide

SMILES

CCN(C(CC1(CC2)CCN2C(Cc(cc2)ccc2Cl)=O)C(NCCCOC)=O)C1=O

InChI

InChI=1S/C23H32ClN3O4/c1-3-27-19(21(29)25-11-4-14-31-2)16-23(22(27)30)9-12-26(13-10-23)20(28)15-17-5-7-18(24)8-6-17/h5-8,19H,3-4,9-16H2,1-2H3,(H,25,29)/t19-/m1/s1

InChI Key

GMWXZBCQQOXTLZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32231696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.961

Water Solubility, LogSw

-2.91

Polar Surface Area

65.451

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

S969-0914 in Drug Discovery

Included in Screening Libraries

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

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

PPI Inhibitors Tripeptide Mimetics (23972 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

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

References: we are preparing a list of scientific research reports with S969-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S969-0914?
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What is the minimum amount of S969-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S969-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S969-0914
  • 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 S969-0914 available by request