5518-1830 Screening compound: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(2-chloro-3-pyridyl)acetamide

5518-1830 Screening compound: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(2-chloro-3-pyridyl)acetamide
5518-1830 Screening compound: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(2-chloro-3-pyridyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5518-1830
2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(2-chloro-3-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

5518-1830

Molecular Formula

C20H12ClN5OS (C20 H12 ClN5 OS)

Compound Name

2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N~1~-(2-chloro-3-pyridyl)acetamide

IUPAC name

2-{acenaphthyleno[12-e][124]triazin-9-ylsulfanyl}-N-(2-chloropyridin-3-yl)acetamide

SMILES

O=C(CSc1nnc(-c2c(c-3ccc4)c4ccc2)c3n1)Nc1cccnc1Cl

InChI

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

InChI Key

NKJHCXLXNGRJPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03271553

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

3.711

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-4.37

Polar Surface Area

64.242

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

5518-1830 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5518-1830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5518-1830?
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What is the minimum amount of 5518-1830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5518-1830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5518-1830
  • 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 5518-1830 available by request