S233-1660 Screening compound: N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide

S233-1660 Screening compound: N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide
S233-1660 Screening compound: N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-1660
N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-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

S233-1660

Molecular Formula

C23H33N3O2 (C23 H33 N3 O2)

Compound Name

N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide

IUPAC name

N-{[(4aS7aR)-1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide

SMILES

Cc(cc1)ncc1C(NC[C@](CCC1)(CC2)[C@@H]1N(CC1CCCCC1)C2=O)=O

InChI

InChI=1S/C23H33N3O2/c1-17-9-10-19(14-24-17)22(28)25-16-23-12-5-8-20(23)26(21(27)11-13-23)15-18-6-3-2-4-7-18/h9-10,14,18,20H,2-8,11-13,15-16H2,1H3,(H,25,28)/t20-,23+/m1/s1

InChI Key

JHWDMOJGJGWYOS-OFNKIYASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-3.77

Polar Surface Area

50.080

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.60

S233-1660 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S233-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-1660?
Check Price and Availability of S233-1660, 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 S233-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-1660
  • 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 S233-1660 available by request