P742-1099 Screening compound: 1'-(2,5-dimethylbenzenesulfonyl)-1-ethyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one

P742-1099 Screening compound: 1'-(2,5-dimethylbenzenesulfonyl)-1-ethyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one
P742-1099 Screening compound: 1'-(2,5-dimethylbenzenesulfonyl)-1-ethyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P742-1099
1'-(2,5-dimethylbenzenesulfonyl)-1-ethyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-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

P742-1099

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

1'-(2,5-dimethylbenzenesulfonyl)-1-ethyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one

IUPAC name

1'-(25-dimethylbenzenesulfonyl)-1-ethyl-12-dihydrospiro[indole-34'-piperidin]-2-one

SMILES

CCN(C(C1(CC2)CCN2S(c2c(C)ccc(C)c2)(=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C22H26N2O3S/c1-4-24-19-8-6-5-7-18(19)22(21(24)25)11-13-23(14-12-22)28(26,27)20-15-16(2)9-10-17(20)3/h5-10,15H,4,11-14H2,1-3H3

InChI Key

YDFNLDFGDJPTJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-3.90

Polar Surface Area

47.143

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

P742-1099 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P742-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P742-1099?
Check Price and Availability of P742-1099, 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 P742-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P742-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P742-1099
  • 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 P742-1099 available by request