S382-1121 Screening compound: 3-benzyl-7-(1H-indol-2-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

S382-1121 Screening compound: 3-benzyl-7-(1H-indol-2-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
S382-1121 Screening compound: 3-benzyl-7-(1H-indol-2-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S382-1121
3-benzyl-7-(1H-indol-2-ylcarbonyl)-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

S382-1121

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

3-benzyl-7-(1H-indol-2-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

IUPAC name

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

SMILES

O=C(c1cc(cccc2)c2[nH]1)N(CC1)CC1(C(N1Cc2ccccc2)=O)NC1=O

InChI

InChI=1S/C22H20N4O3/c27-19(18-12-16-8-4-5-9-17(16)23-18)25-11-10-22(14-25)20(28)26(21(29)24-22)13-15-6-2-1-3-7-15/h1-9,12,23H,10-11,13-14H2,(H,24,29)/t22-/m0/s1

InChI Key

MROPAWSGBRCNMQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD29032905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

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

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.45

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

22.73

S382-1121 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S382-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S382-1121?
Check Price and Availability of S382-1121, 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 S382-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S382-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S382-1121
  • 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 S382-1121 available by request