S329-1287 Screening compound: N~1~-{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}-N~1~-tetrahydro-2H-pyran-4-ylpropanamide

S329-1287 Screening compound: N~1~-{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}-N~1~-tetrahydro-2H-pyran-4-ylpropanamide
S329-1287 Screening compound: N~1~-{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}-N~1~-tetrahydro-2H-pyran-4-ylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-1287
N~1~-{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}-N~1~-tetrahydro-2H-pyran-4-ylpropanamide

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

S329-1287

Molecular Formula

C23H33N3O2 (C23 H33 N3 O2)

Compound Name

N~1~-{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}-N~1~-tetrahydro-2H-pyran-4-ylpropanamide

IUPAC name

N-{1-[(1-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-N-(oxan-4-yl)propanamide

SMILES

CCC(N(C1CCN(Cc2cn(C)c3c2cccc3)CC1)C1CCOCC1)=O

InChI

InChI=1S/C23H33N3O2/c1-3-23(27)26(20-10-14-28-15-11-20)19-8-12-25(13-9-19)17-18-16-24(2)22-7-5-4-6-21(18)22/h4-7,16,19-20H,3,8-15,17H2,1-2H3

InChI Key

KGJQJYWEIQKBCC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

-0.660

Water Solubility, LogSw

-2.83

Polar Surface Area

28.528

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

S329-1287 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S329-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-1287?
Check Price and Availability of S329-1287, 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 S329-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-1287
  • 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 S329-1287 available by request