S336-0275 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide

S336-0275 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide
S336-0275 Screening compound: N-(3-chloro-4-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 S336-0275
N-(3-chloro-4-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

S336-0275

Molecular Formula

C16H19ClN4O3 (C16 H19 ClN4 O3)

Compound Name

N-(3-chloro-4-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-chloro-4-methoxyphenyl)-2-{3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-2-yl}acetamide

SMILES

COc(ccc(NC(CN1N=C(CCCCC2)N2C1=O)=O)c1)c1Cl

InChI

InChI=1S/C16H19ClN4O3/c1-24-13-7-6-11(9-12(13)17)18-15(22)10-21-16(23)20-8-4-2-3-5-14(20)19-21/h6-7,9H,2-5,8,10H2,1H3,(H,18,22)

InChI Key

SIRZEMULQLFCRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10536186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.8

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

2.754

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-3.47

Polar Surface Area

64.296

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

S336-0275 in Drug Discovery

Included in Screening Libraries

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:
  • Nervous system
  • Eye
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S336-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S336-0275?
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What is the minimum amount of S336-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S336-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S336-0275
  • 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 S336-0275 available by request