S395-0126 Screening compound: 3-[(4-chlorophenyl)methyl]-8-(1H-indole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

S395-0126 Screening compound: 3-[(4-chlorophenyl)methyl]-8-(1H-indole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
S395-0126 Screening compound: 3-[(4-chlorophenyl)methyl]-8-(1H-indole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S395-0126
3-[(4-chlorophenyl)methyl]-8-(1H-indole-4-carbonyl)-1,3,8-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

S395-0126

Molecular Formula

C23H21ClN4O3 (C23 H21 ClN4 O3)

Compound Name

3-[(4-chlorophenyl)methyl]-8-(1H-indole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

IUPAC name

3-[(4-chlorophenyl)methyl]-8-(1H-indole-4-carbonyl)-138-triazaspiro[4.5]decane-24-dione

SMILES

O=C(c1c(cc[nH]2)c2ccc1)N(CC1)CCC1(C(N1Cc(cc2)ccc2Cl)=O)NC1=O

InChI

InChI=1S/C23H21ClN4O3/c24-16-6-4-15(5-7-16)14-28-21(30)23(26-22(28)31)9-12-27(13-10-23)20(29)18-2-1-3-19-17(18)8-11-25-19/h1-8,11,25H,9-10,12-14H2,(H,26,31)

InChI Key

GJNZIYYLVAEYBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

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

2.978

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.85

Polar Surface Area

68.075

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

S395-0126 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

Indole Derivatives (10091 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with S395-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S395-0126?
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What is the minimum amount of S395-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S395-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S395-0126
  • 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 S395-0126 available by request