SA91-0066 Screening compound: 1'-benzyl-1-methyl-5-(piperidin-1-ylcarbonyl)spiro[indole-3,4'-piperidin]-2(1H)-one

SA91-0066 Screening compound: 1'-benzyl-1-methyl-5-(piperidin-1-ylcarbonyl)spiro[indole-3,4'-piperidin]-2(1H)-one
SA91-0066 Screening compound: 1'-benzyl-1-methyl-5-(piperidin-1-ylcarbonyl)spiro[indole-3,4'-piperidin]-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA91-0066
1'-benzyl-1-methyl-5-(piperidin-1-ylcarbonyl)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

SA91-0066

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

1'-benzyl-1-methyl-5-(piperidin-1-ylcarbonyl)spiro[indole-3,4'-piperidin]-2(1H)-one

IUPAC name

1'-benzyl-1-methyl-5-(piperidine-1-carbonyl)-12-dihydrospiro[indole-34'-piperidin]-2-one

SMILES

CN(C(C12CCN(Cc3ccccc3)CC2)=O)c(cc2)c1cc2C(N1CCCCC1)=O

InChI

InChI=1S/C26H31N3O2/c1-27-23-11-10-21(24(30)29-14-6-3-7-15-29)18-22(23)26(25(27)31)12-16-28(17-13-26)19-20-8-4-2-5-9-20/h2,4-5,8-11,18H,3,6-7,12-17,19H2,1H3

InChI Key

RKZDQISYBSCMLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32243056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

0.946

Water Solubility, LogSw

-3.44

Polar Surface Area

35.854

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

SA91-0066 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA91-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA91-0066?
Check Price and Availability of SA91-0066, 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 SA91-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA91-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA91-0066
  • 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 SA91-0066 available by request