7174-0043 Screening compound: 8,8-dimethyl-6-(methylsulfanyl)-2H,3H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline

7174-0043 Screening compound: 8,8-dimethyl-6-(methylsulfanyl)-2H,3H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline
7174-0043 Screening compound: 8,8-dimethyl-6-(methylsulfanyl)-2H,3H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7174-0043
8,8-dimethyl-6-(methylsulfanyl)-2H,3H,8H,9H-[1,4]dioxino[2,3-g]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

7174-0043

Molecular Formula

C14H17NO2S (C14 H17 NO2 S)

Compound Name

8,8-dimethyl-6-(methylsulfanyl)-2H,3H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline

IUPAC name

88-dimethyl-6-(methylsulfanyl)-2H3H8H9H-[14]dioxino[23-g]isoquinoline

SMILES

CC(C)(Cc1c2cc3OCCOc3c1)N=C2SC

InChI

InChI=1S/C14H17NO2S/c1-14(2)8-9-6-11-12(17-5-4-16-11)7-10(9)13(15-14)18-3/h6-7H,4-5,8H2,1-3H3

InChI Key

XJDVKIYNBJDENQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.133

Distribution Coefficient, logD

2.042

Water Solubility, LogSw

-2.39

Polar Surface Area

24.353

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

7174-0043 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7174-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7174-0043?
Check Price and Availability of 7174-0043, 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 7174-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7174-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7174-0043
  • 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 7174-0043 available by request