3555-0164 Screening compound: 8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,4-a]isoquinoline

3555-0164 Screening compound: 8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,4-a]isoquinoline
3555-0164 Screening compound: 8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,4-a]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3555-0164
8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,4-a]isoquinoline

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

3555-0164

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,4-a]isoquinoline

IUPAC name

89-dimethoxy-55-dimethyl-3-(thiophen-2-yl)-5H6H-[124]triazolo[34-a]isoquinoline

SMILES

CC(C)(Cc(cc1OC)c-2cc1OC)n1c2nnc1-c1cccs1

InChI

InChI=1S/C18H19N3O2S/c1-18(2)10-11-8-13(22-3)14(23-4)9-12(11)16-19-20-17(21(16)18)15-6-5-7-24-15/h5-9H,10H2,1-4H3

InChI Key

IONTWORZCRVBQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01308979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.69

Polar Surface Area

40.380

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3555-0164 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3555-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3555-0164?
Check Price and Availability of 3555-0164, 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 3555-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3555-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3555-0164
  • 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 3555-0164 available by request