S336-0236 Screening compound: N-(3-methoxyphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide

S336-0236 Screening compound: N-(3-methoxyphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide
S336-0236 Screening compound: N-(3-methoxyphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S336-0236
N-(3-methoxyphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide

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

S336-0236

Molecular Formula

C16H20N4O3 (C16 H20 N4 O3)

Compound Name

N-(3-methoxyphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide

IUPAC name

N-(3-methoxyphenyl)-2-{3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-2-yl}acetamide

SMILES

COc1cccc(NC(CN2N=C(CCCCC3)N3C2=O)=O)c1

InChI

InChI=1S/C16H20N4O3/c1-23-13-7-5-6-12(10-13)17-15(21)11-20-16(22)19-9-4-2-3-8-14(19)18-20/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,21)

InChI Key

YGYDQLHPVLPSJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10529305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.95

Polar Surface Area

64.209

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

S336-0236 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Eye
  • Cancer
Agro:
  • Agro
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S336-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S336-0236?
Check Price and Availability of S336-0236, 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 S336-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S336-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S336-0236
  • 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 S336-0236 available by request