8009-3202 Screening compound: 3,3,5-trimethyl-3,4-dihydro-1(2H)-isoquinolinethione

8009-3202 Screening compound: 3,3,5-trimethyl-3,4-dihydro-1(2H)-isoquinolinethione
8009-3202 Screening compound: 3,3,5-trimethyl-3,4-dihydro-1(2H)-isoquinolinethione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3202
3,3,5-trimethyl-3,4-dihydro-1(2H)-isoquinolinethione

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

8009-3202

Molecular Formula

C12H15NS (C12 H15 NS)

Compound Name

3,3,5-trimethyl-3,4-dihydro-1(2H)-isoquinolinethione

IUPAC name

335-trimethyl-1234-tetrahydroisoquinoline-1-thione

SMILES

CC(C)(Cc1c2cccc1C)NC2=S

InChI

InChI=1S/C12H15NS/c1-8-5-4-6-9-10(8)7-12(2,3)13-11(9)14/h4-6H,7H2,1-3H3,(H,13,14)

InChI Key

UXYGCZMQJQBYAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.95

Polar Surface Area

11.877

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8009-3202 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-3202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3202?
Check Price and Availability of 8009-3202, 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 8009-3202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3202
  • 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 8009-3202 available by request