E972-0565 Screening compound: N-benzyl-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0565 Screening compound: N-benzyl-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0565 Screening compound: N-benzyl-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0565
N-benzyl-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-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

E972-0565

Molecular Formula

C24H28N4OS (C24 H28 N4 OS)

Compound Name

N-benzyl-2-phenyl-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

IUPAC name

N-benzyl-2-phenyl-3-(propylsulfanyl)-148-triazaspiro[4.5]deca-13-diene-8-carboxamide

SMILES

CCCSC1=NC(CC2)(CCN2C(NCc2ccccc2)=O)N=C1c1ccccc1

InChI

InChI=1S/C24H28N4OS/c1-2-17-30-22-21(20-11-7-4-8-12-20)26-24(27-22)13-15-28(16-14-24)23(29)25-18-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,25,29)

InChI Key

MQIIRVCKVVFQBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.57

Polar Surface Area

43.952

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E972-0565 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E972-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0565?
Check Price and Availability of E972-0565, 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 E972-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0565
  • 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 E972-0565 available by request