S969-0484 Screening compound: N3-cyclopentyl-2-ethyl-N8-[(furan-2-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide

S969-0484 Screening compound: N3-cyclopentyl-2-ethyl-N8-[(furan-2-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide
S969-0484 Screening compound: N3-cyclopentyl-2-ethyl-N8-[(furan-2-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S969-0484
N3-cyclopentyl-2-ethyl-N8-[(furan-2-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide

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

S969-0484

Molecular Formula

C22H32N4O4 (C22 H32 N4 O4)

Compound Name

N3-cyclopentyl-2-ethyl-N8-[(furan-2-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide

IUPAC name

N3-cyclopentyl-2-ethyl-N8-[(furan-2-yl)methyl]-1-oxo-28-diazaspiro[4.5]decane-38-dicarboxamide

SMILES

CCN(C(CC1(CC2)CCN2C(NCc2ccco2)=O)C(NC2CCCC2)=O)C1=O

InChI

InChI=1S/C22H32N4O4/c1-2-26-18(19(27)24-16-6-3-4-7-16)14-22(20(26)28)9-11-25(12-10-22)21(29)23-15-17-8-5-13-30-17/h5,8,13,16,18H,2-4,6-7,9-12,14-15H2,1H3,(H,23,29)(H,24,27)/t18-/m1/s1

InChI Key

IOSZIUQXVZQUOM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32231432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.26

Polar Surface Area

75.506

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

S969-0484 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)

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 S969-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S969-0484?
Check Price and Availability of S969-0484, 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 S969-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S969-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S969-0484
  • 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 S969-0484 available by request