5518-1828 Screening compound: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(5-chloro-2-pyridyl)acetamide

5518-1828 Screening compound: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(5-chloro-2-pyridyl)acetamide
5518-1828 Screening compound: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(5-chloro-2-pyridyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5518-1828
2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(5-chloro-2-pyridyl)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

5518-1828

Molecular Formula

C20H12ClN5OS (C20 H12 ClN5 OS)

Compound Name

2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(5-chloro-2-pyridyl)acetamide

IUPAC name

2-{acenaphthyleno[12-e][124]triazin-9-ylsulfanyl}-N-(5-chloropyridin-2-yl)acetamide

SMILES

O=C(CSc1nnc(-c2c(c-3ccc4)c4ccc2)c3n1)Nc(cc1)ncc1Cl

InChI

InChI=1S/C20H12ClN5OS/c21-12-7-8-15(22-9-12)23-16(27)10-28-20-24-18-13-5-1-3-11-4-2-6-14(17(11)13)19(18)25-26-20/h1-9H,10H2,(H,22,23,27)

InChI Key

IGETWCUBQOCQCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-5.42

Polar Surface Area

64.959

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

5518-1828 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5518-1828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5518-1828?
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What is the minimum amount of 5518-1828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5518-1828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5518-1828
  • 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 5518-1828 available by request