P742-0822 Screening compound: 1-ethyl-1'-(3-methylbutanoyl)spiro[indole-3,4'-piperidin]-2(1H)-one

P742-0822 Screening compound: 1-ethyl-1'-(3-methylbutanoyl)spiro[indole-3,4'-piperidin]-2(1H)-one
P742-0822 Screening compound: 1-ethyl-1'-(3-methylbutanoyl)spiro[indole-3,4'-piperidin]-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P742-0822
1-ethyl-1'-(3-methylbutanoyl)spiro[indole-3,4'-piperidin]-2(1H)-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

P742-0822

Molecular Formula

C19H26N2O2 (C19 H26 N2 O2)

Compound Name

1-ethyl-1'-(3-methylbutanoyl)spiro[indole-3,4'-piperidin]-2(1H)-one

IUPAC name

1-ethyl-1'-(3-methylbutanoyl)-12-dihydrospiro[indole-34'-piperidin]-2-one

SMILES

CCN(C(C1(CC2)CCN2C(CC(C)C)=O)=O)c2c1cccc2

InChI

InChI=1S/C19H26N2O2/c1-4-21-16-8-6-5-7-15(16)19(18(21)23)9-11-20(12-10-19)17(22)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3

InChI Key

INDVAOGINCACFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-3.12

Polar Surface Area

31.824

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

P742-0822 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P742-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P742-0822?
Check Price and Availability of P742-0822, 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 P742-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P742-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P742-0822
  • 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 P742-0822 available by request