E722-1526 Screening compound: 2-{2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline

E722-1526 Screening compound: 2-{2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline
E722-1526 Screening compound: 2-{2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-1526
2-{2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

E722-1526

Molecular Formula

C19H19NOS2 (C19 H19 NOS2)

Compound Name

2-{2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{23-dimethyl-4H-thieno[32-c]thiopyran-6-carbonyl}-1234-tetrahydroisoquinoline

SMILES

Cc1c(C)sc2c1CSC(C(N(CC1)Cc3c1cccc3)=O)=C2

InChI

InChI=1S/C19H19NOS2/c1-12-13(2)23-17-9-18(22-11-16(12)17)19(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-11H2,1-2H3

InChI Key

UBNPMAJRFOSGAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.52

Polar Surface Area

17.488

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E722-1526 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 E722-1526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-1526?
Check Price and Availability of E722-1526, 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 E722-1526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-1526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-1526
  • 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 E722-1526 available by request