3555-0197 Screening compound: 5,8-dimethoxy-3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline

3555-0197 Screening compound: 5,8-dimethoxy-3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline
3555-0197 Screening compound: 5,8-dimethoxy-3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3555-0197
5,8-dimethoxy-3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline

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

3555-0197

Molecular Formula

C14H19NO2S (C14 H19 NO2 S)

Compound Name

5,8-dimethoxy-3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline

IUPAC name

n/a

SMILES

CC(C)(Cc(c1c(cc2)OC)c2OC)N=C1SC

InChI

InChI=1S/C14H19NO2S/c1-14(2)8-9-10(16-3)6-7-11(17-4)12(9)13(15-14)18-5/h6-7H,8H2,1-5H3

InChI Key

IGQVFEBNTXBYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-2.72

Polar Surface Area

23.791

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3555-0197 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3555-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3555-0197?
Check Price and Availability of 3555-0197, 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 3555-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3555-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3555-0197
  • 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 3555-0197 available by request