S233-0665 Screening compound: N-{[(4AS7AR)-1-(2-METHOXYETHYL)-2-OXO-OCTAHYDRO-1H-CYCLOPENTA[B]PYRIDIN-4A-YL]METHYL}PYRIDINE-4-CARBOXAMIDE

S233-0665 Screening compound: N-{[(4AS7AR)-1-(2-METHOXYETHYL)-2-OXO-OCTAHYDRO-1H-CYCLOPENTA[B]PYRIDIN-4A-YL]METHYL}PYRIDINE-4-CARBOXAMIDE
S233-0665 Screening compound: N-{[(4AS7AR)-1-(2-METHOXYETHYL)-2-OXO-OCTAHYDRO-1H-CYCLOPENTA[B]PYRIDIN-4A-YL]METHYL}PYRIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-0665
N-{[(4AS7AR)-1-(2-METHOXYETHYL)-2-OXO-OCTAHYDRO-1H-CYCLOPENTA[B]PYRIDIN-4A-YL]METHYL}PYRIDINE-4-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

S233-0665

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

N-{[(4AS7AR)-1-(2-METHOXYETHYL)-2-OXO-OCTAHYDRO-1H-CYCLOPENTA[B]PYRIDIN-4A-YL]METHYL}PYRIDINE-4-CARBOXAMIDE

IUPAC name

N-{[(4aS7aR)-1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}pyridine-4-carboxamide

SMILES

COCCN([C@H](CCC1)[C@]1(CNC(c1ccncc1)=O)CC1)C1=O

InChI

InChI=1S/C18H25N3O3/c1-24-12-11-21-15-3-2-7-18(15,8-4-16(21)22)13-20-17(23)14-5-9-19-10-6-14/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,20,23)/t15-,18+/m1/s1

InChI Key

XAWYGYOQCPYMBH-QAPCUYQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.622

Distribution Coefficient, logD

0.621

Water Solubility, LogSw

-0.99

Polar Surface Area

58.964

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S233-0665 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S233-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-0665?
Check Price and Availability of S233-0665, 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 S233-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-0665
  • 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 S233-0665 available by request