S382-1333 Screening compound: 1-(2-methoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

S382-1333 Screening compound: 1-(2-methoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
S382-1333 Screening compound: 1-(2-methoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S382-1333
1-(2-methoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-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

S382-1333

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

1-(2-methoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

IUPAC name

1-(2-methoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-137-triazaspiro[4.4]nonane-24-dione

SMILES

Cc1c(CN(CC2)CC2(C(N2C)=O)N(CCOC)C2=O)cccc1

InChI

InChI=1S/C18H25N3O3/c1-14-6-4-5-7-15(14)12-20-9-8-18(13-20)16(22)19(2)17(23)21(18)10-11-24-3/h4-7H,8-13H2,1-3H3/t18-/m0/s1

InChI Key

KNBZNPBFSSNIOU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32224215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

0.700

Water Solubility, LogSw

-2.29

Polar Surface Area

44.663

Acid Dissociation Constant (pKa)

27.47

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S382-1333 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S382-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S382-1333?
Check Price and Availability of S382-1333, 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 S382-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S382-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S382-1333
  • 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 S382-1333 available by request