S401-0154 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-en-1-yl}acetamide

S401-0154 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-en-1-yl}acetamide
S401-0154 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-en-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S401-0154
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-en-1-yl}acetamide

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

S401-0154

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-en-1-yl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{2-oxo-3-phenyl-14-diazaspiro[4.4]non-3-en-1-yl}acetamide

SMILES

O=C(CN(C1(CCCC1)N=C1c2ccccc2)C1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H23N3O4/c27-20(24-17-8-9-18-19(14-17)30-13-12-29-18)15-26-22(28)21(16-6-2-1-3-7-16)25-23(26)10-4-5-11-23/h1-3,6-9,14H,4-5,10-13,15H2,(H,24,27)

InChI Key

JLRCWLLNUCFIPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-3.00

Polar Surface Area

63.786

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

S401-0154 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S401-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S401-0154?
Check Price and Availability of S401-0154, 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 S401-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S401-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S401-0154
  • 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 S401-0154 available by request