S336-0232 Screening compound: 2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

S336-0232 Screening compound: 2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one
S336-0232 Screening compound: 2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S336-0232
2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

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

S336-0232

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

IUPAC name

2-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-3-one

SMILES

O=C(CN1N=C(CCCCC2)N2C1=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C18H22N4O2/c23-17(20-12-6-8-14-7-3-4-9-15(14)20)13-22-18(24)21-11-5-1-2-10-16(21)19-22/h3-4,7,9H,1-2,5-6,8,10-13H2

InChI Key

SUGXAZPLRCNLEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.317

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.49

Polar Surface Area

48.573

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S336-0232 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S336-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S336-0232?
Check Price and Availability of S336-0232, 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 S336-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S336-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S336-0232
  • 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 S336-0232 available by request