S388-0333 Screening compound: 8-(5-chloro-2-methoxybenzoyl)-2-(2-chlorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

S388-0333 Screening compound: 8-(5-chloro-2-methoxybenzoyl)-2-(2-chlorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
S388-0333 Screening compound: 8-(5-chloro-2-methoxybenzoyl)-2-(2-chlorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S388-0333
8-(5-chloro-2-methoxybenzoyl)-2-(2-chlorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

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

S388-0333

Molecular Formula

C20H20Cl2N4O3 (C20 H20 Cl2 N4 O3)

Compound Name

8-(5-chloro-2-methoxybenzoyl)-2-(2-chlorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

IUPAC name

8-(5-chloro-2-methoxybenzoyl)-2-(2-chlorophenyl)-1248-tetraazaspiro[4.5]decan-3-one

SMILES

COc(ccc(Cl)c1)c1C(N(CC1)CCC1(NC1=O)NN1c(cccc1)c1Cl)=O

InChI

InChI=1S/C20H20Cl2N4O3/c1-29-17-7-6-13(21)12-14(17)18(27)25-10-8-20(9-11-25)23-19(28)26(24-20)16-5-3-2-4-15(16)22/h2-7,12,24H,8-11H2,1H3,(H,23,28)

InChI Key

CHIPPMBLDKMRRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.67

Polar Surface Area

64.841

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S388-0333 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S388-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S388-0333?
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What is the minimum amount of S388-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S388-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S388-0333
  • 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 S388-0333 available by request