S401-0312 Screening compound: N-tert-butyl-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-yl}acetamide

S401-0312 Screening compound: N-tert-butyl-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-yl}acetamide
S401-0312 Screening compound: N-tert-butyl-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S401-0312
N-tert-butyl-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-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

S401-0312

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

N-tert-butyl-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-yl}acetamide

IUPAC name

N-tert-butyl-2-{2-oxo-3-phenyl-14-diazaspiro[4.5]dec-3-en-1-yl}acetamide

SMILES

CC(C)(C)NC(CN(C1(CCCCC1)N=C1c2ccccc2)C1=O)=O

InChI

InChI=1S/C20H27N3O2/c1-19(2,3)21-16(24)14-23-18(25)17(15-10-6-4-7-11-15)22-20(23)12-8-5-9-13-20/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,21,24)

InChI Key

SKMLOWQVFOGTSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.09

Polar Surface Area

48.014

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S401-0312 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 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

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S401-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S401-0312?
Check Price and Availability of S401-0312, 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 S401-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S401-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S401-0312
  • 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 S401-0312 available by request