SA91-0089 Screening compound: 1-methyl-2-oxo-N,1'-bis(pyridin-3-ylmethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide

SA91-0089 Screening compound: 1-methyl-2-oxo-N,1'-bis(pyridin-3-ylmethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide
SA91-0089 Screening compound: 1-methyl-2-oxo-N,1'-bis(pyridin-3-ylmethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA91-0089
1-methyl-2-oxo-N,1'-bis(pyridin-3-ylmethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide

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

SA91-0089

Molecular Formula

C26H27N5O2 (C26 H27 N5 O2)

Compound Name

1-methyl-2-oxo-N,1'-bis(pyridin-3-ylmethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide

IUPAC name

1-methyl-2-oxo-N1'-bis[(pyridin-3-yl)methyl]-12-dihydrospiro[indole-34'-piperidine]-5-carboxamide

SMILES

CN(C(C12CCN(Cc3cnccc3)CC2)=O)c(cc2)c1cc2C(NCc1cnccc1)=O

InChI

InChI=1S/C26H27N5O2/c1-30-23-7-6-21(24(32)29-17-19-4-2-10-27-15-19)14-22(23)26(25(30)33)8-12-31(13-9-26)18-20-5-3-11-28-16-20/h2-7,10-11,14-16H,8-9,12-13,17-18H2,1H3,(H,29,32)

InChI Key

UVNRQYTXCPNAIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32241427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.077

Distribution Coefficient, logD

-0.298

Water Solubility, LogSw

-1.94

Polar Surface Area

62.654

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

SA91-0089 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA91-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA91-0089?
Check Price and Availability of SA91-0089, 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 SA91-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA91-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA91-0089
  • 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 SA91-0089 available by request