8019-7012 Screening compound: 3-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-2H,3H,5H,6H,7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

8019-7012 Screening compound: 3-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-2H,3H,5H,6H,7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
8019-7012 Screening compound: 3-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-2H,3H,5H,6H,7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7012
3-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-2H,3H,5H,6H,7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

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

8019-7012

Molecular Formula

C18H15ClN4O3 (C18 H15 ClN4 O3)

Compound Name

3-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-2H,3H,5H,6H,7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

IUPAC name

3-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-2H3H5H6H7H-imidazo[15-b][124]triazole-25-dione

SMILES

COc(cc1)ccc1N(CC(N1N2Cc(cccc3)c3Cl)=NC2=O)C1=O

InChI

InChI=1S/C18H15ClN4O3/c1-26-14-8-6-13(7-9-14)21-11-16-20-17(24)22(23(16)18(21)25)10-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3

InChI Key

DDEGJBOEAABUJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.32

Polar Surface Area

52.881

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8019-7012 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-7012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7012?
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What is the minimum amount of 8019-7012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7012
  • 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 8019-7012 available by request