S233-0360 Screening compound: N6-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-6-QUINOLINECARBOXAMIDE

S233-0360 Screening compound: N6-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-6-QUINOLINECARBOXAMIDE
S233-0360 Screening compound: N6-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-6-QUINOLINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-0360
N6-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-6-QUINOLINECARBOXAMIDE

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

S233-0360

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

N6-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-6-QUINOLINECARBOXAMIDE

IUPAC name

n/a

SMILES

CCN([C@H](CCC1)[C@]1(CNC(c1cc2cccnc2cc1)=O)CC1)C1=O

InChI

InChI=1S/C21H25N3O2/c1-2-24-18-6-3-10-21(18,11-9-19(24)25)14-23-20(26)16-7-8-17-15(13-16)5-4-12-22-17/h4-5,7-8,12-13,18H,2-3,6,9-11,14H2,1H3,(H,23,26)/t18-,21+/m1/s1

InChI Key

UGEUODCQFWRXSB-NQIIRXRSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.81

Polar Surface Area

49.703

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

S233-0360 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S233-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-0360?
Check Price and Availability of S233-0360, 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 S233-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-0360
  • 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 S233-0360 available by request