8018-9167 Screening compound: 2,4-dichlorophenyl (5H-[1,2,4]triazolo[5,1-a]isoindol-2-ylmethyl) ether

8018-9167 Screening compound: 2,4-dichlorophenyl (5H-[1,2,4]triazolo[5,1-a]isoindol-2-ylmethyl) ether
8018-9167 Screening compound: 2,4-dichlorophenyl (5H-[1,2,4]triazolo[5,1-a]isoindol-2-ylmethyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9167
2,4-dichlorophenyl (5H-[1,2,4]triazolo[5,1-a]isoindol-2-ylmethyl) ether

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

8018-9167

Molecular Formula

C16H11Cl2N3O (C16 H11 Cl2 N3 O)

Compound Name

2,4-dichlorophenyl (5H-[1,2,4]triazolo[5,1-a]isoindol-2-ylmethyl) ether

IUPAC name

2-[(24-dichlorophenoxy)methyl]-5H-[124]triazolo[32-a]isoindole

SMILES

Clc(cc1)cc(Cl)c1OCc1nn(Cc2c-3cccc2)c3n1

InChI

InChI=1S/C16H11Cl2N3O/c17-11-5-6-14(13(18)7-11)22-9-15-19-16-12-4-2-1-3-10(12)8-21(16)20-15/h1-7H,8-9H2

InChI Key

CVSKSXOWKCRZNU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-4.29

Polar Surface Area

32.875

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-9167 in Drug Discovery

Included in Screening Libraries

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:
  • 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 8018-9167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9167?
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What is the minimum amount of 8018-9167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9167
  • 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 8018-9167 available by request