S617-0933 Screening compound: N-[4-(hydroxymethyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}piperidin-3-yl]benzamide

S617-0933 Screening compound: N-[4-(hydroxymethyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}piperidin-3-yl]benzamide
S617-0933 Screening compound: N-[4-(hydroxymethyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}piperidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0933
N-[4-(hydroxymethyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}piperidin-3-yl]benzamide

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

S617-0933

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

N-[4-(hydroxymethyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}piperidin-3-yl]benzamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}piperidin-3-yl]benzamide

SMILES

CC(C)n1c(ccc(OC)c2)c2c(CN(CC[C@H]2CO)C[C@@H]2NC(c2ccccc2)=O)c1

InChI

InChI=1S/C26H33N3O3/c1-18(2)29-15-21(23-13-22(32-3)9-10-25(23)29)14-28-12-11-20(17-30)24(16-28)27-26(31)19-7-5-4-6-8-19/h4-10,13,15,18,20,24,30H,11-12,14,16-17H2,1-3H3,(H,27,31)/t20-,24-/m0/s1

InChI Key

NCUOJRFIONBFBE-RDPSFJRHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

0.263

Water Solubility, LogSw

-3.46

Polar Surface Area

55.695

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

10.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.31

S617-0933 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with S617-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0933?
Check Price and Availability of S617-0933, 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 S617-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0933
  • 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 S617-0933 available by request