S381-0393 Screening compound: 7-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-methylbenzyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione

S381-0393 Screening compound: 7-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-methylbenzyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione
S381-0393 Screening compound: 7-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-methylbenzyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S381-0393
7-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-methylbenzyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione

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

S381-0393

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

7-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-methylbenzyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione

IUPAC name

7-(2H-13-benzodioxole-5-carbonyl)-3-[(4-methylphenyl)methyl]-137-triazaspiro[4.5]decane-24-dione

SMILES

Cc1ccc(CN(C(C(CCC2)(CN2C(c(cc2)cc3c2OCO3)=O)N2)=O)C2=O)cc1

InChI

InChI=1S/C23H23N3O5/c1-15-3-5-16(6-4-15)12-26-21(28)23(24-22(26)29)9-2-10-25(13-23)20(27)17-7-8-18-19(11-17)31-14-30-18/h3-8,11H,2,9-10,12-14H2,1H3,(H,24,29)/t23-/m0/s1

InChI Key

XRKCSMHMKMNQGU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29032845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-3.03

Polar Surface Area

75.342

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

S381-0393 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S381-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S381-0393?
Check Price and Availability of S381-0393, 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 S381-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S381-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S381-0393
  • 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 S381-0393 available by request