S382-0078 Screening compound: 3-[(4-chlorophenyl)methyl]-7-(1H-indole-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

S382-0078 Screening compound: 3-[(4-chlorophenyl)methyl]-7-(1H-indole-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
S382-0078 Screening compound: 3-[(4-chlorophenyl)methyl]-7-(1H-indole-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S382-0078
3-[(4-chlorophenyl)methyl]-7-(1H-indole-2-carbonyl)-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

S382-0078

Molecular Formula

C22H19ClN4O3 (C22 H19 ClN4 O3)

Compound Name

3-[(4-chlorophenyl)methyl]-7-(1H-indole-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

IUPAC name

3-[(4-chlorophenyl)methyl]-7-(1H-indole-2-carbonyl)-137-triazaspiro[4.4]nonane-24-dione

SMILES

O=C(c1cc(cccc2)c2[nH]1)N(CC1)CC1(C(N1Cc(cc2)ccc2Cl)=O)NC1=O

InChI

InChI=1S/C22H19ClN4O3/c23-16-7-5-14(6-8-16)12-27-20(29)22(25-21(27)30)9-10-26(13-22)19(28)18-11-15-3-1-2-4-17(15)24-18/h1-8,11,24H,9-10,12-13H2,(H,25,30)/t22-/m0/s1

InChI Key

AYFTVOCTZHQKDA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD29032889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

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

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.47

Polar Surface Area

67.942

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

S382-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 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)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S382-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S382-0078?
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What is the minimum amount of S382-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S382-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S382-0078
  • 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 S382-0078 available by request