S382-0080 Screening compound: 7-(4-tert-butylbenzoyl)-3-[(4-chlorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

S382-0080 Screening compound: 7-(4-tert-butylbenzoyl)-3-[(4-chlorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
S382-0080 Screening compound: 7-(4-tert-butylbenzoyl)-3-[(4-chlorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S382-0080
7-(4-tert-butylbenzoyl)-3-[(4-chlorophenyl)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

S382-0080

Molecular Formula

C24H26ClN3O3 (C24 H26 ClN3 O3)

Compound Name

7-(4-tert-butylbenzoyl)-3-[(4-chlorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

IUPAC name

7-(4-tert-butylbenzoyl)-3-[(4-chlorophenyl)methyl]-137-triazaspiro[4.4]nonane-24-dione

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)CC1(C(N1Cc(cc2)ccc2Cl)=O)NC1=O)=O

InChI

InChI=1S/C24H26ClN3O3/c1-23(2,3)18-8-6-17(7-9-18)20(29)27-13-12-24(15-27)21(30)28(22(31)26-24)14-16-4-10-19(25)11-5-16/h4-11H,12-15H2,1-3H3,(H,26,31)/t24-/m0/s1

InChI Key

CUXKAVWTAUVNLC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29032890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.73

Polar Surface Area

58.593

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S382-0080 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S382-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S382-0080?
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What is the minimum amount of S382-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S382-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S382-0080
  • 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 S382-0080 available by request