S401-0089 Screening compound: 1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one

S401-0089 Screening compound: 1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one
S401-0089 Screening compound: 1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S401-0089
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1,4-diazaspiro[4.4]non-3-en-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

S401-0089

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one

IUPAC name

1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-14-diazaspiro[4.4]non-3-en-2-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CN(C1(CCCC1)N=C1c2ccccc2)C1=O)=O

InChI

InChI=1S/C26H30N4O3/c1-33-22-12-6-5-11-21(22)28-15-17-29(18-16-28)23(31)19-30-25(32)24(20-9-3-2-4-10-20)27-26(30)13-7-8-14-26/h2-6,9-12H,7-8,13-19H2,1H3

InChI Key

LTJQSTHQVZBECJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.750

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-3.12

Polar Surface Area

51.796

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

S401-0089 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S401-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S401-0089?
Check Price and Availability of S401-0089, 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 S401-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S401-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S401-0089
  • 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 S401-0089 available by request