1574-1735 Screening compound: 2-{5,5-dimethyl-5H,6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl}quinoline

1574-1735 Screening compound: 2-{5,5-dimethyl-5H,6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl}quinoline
1574-1735 Screening compound: 2-{5,5-dimethyl-5H,6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1574-1735
2-{5,5-dimethyl-5H,6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl}quinoline

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

1574-1735

Molecular Formula

C21H18N4 (C21 H18 N4)

Compound Name

2-{5,5-dimethyl-5H,6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl}quinoline

IUPAC name

2-{55-dimethyl-5H6H-[124]triazolo[34-a]isoquinolin-3-yl}quinoline

SMILES

CC(C)(C1)n2c(-c3nc4ccccc4cc3)nnc2-c2c1cccc2

InChI

InChI=1S/C21H18N4/c1-21(2)13-15-8-3-5-9-16(15)19-23-24-20(25(19)21)18-12-11-14-7-4-6-10-17(14)22-18/h3-12H,13H2,1-2H3

InChI Key

JVNXINFPUCFCFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00590950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.59

Polar Surface Area

32.432

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1574-1735 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1574-1735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1574-1735?
Check Price and Availability of 1574-1735, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1574-1735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1574-1735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1574-1735
  • 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 1574-1735 available by request