G777-0219 Screening compound: 8-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1-benzothiopyran-4-one

G777-0219 Screening compound: 8-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1-benzothiopyran-4-one
G777-0219 Screening compound: 8-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1-benzothiopyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G777-0219
8-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1-benzothiopyran-4-one

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

G777-0219

Molecular Formula

C19H17NO2S (C19 H17 NO2 S)

Compound Name

8-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1-benzothiopyran-4-one

IUPAC name

8-(1234-tetrahydroisoquinoline-2-carbonyl)-34-dihydro-2H-1-benzothiopyran-4-one

SMILES

O=C(c1cccc2c1SCCC2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C19H17NO2S/c21-17-9-11-23-18-15(17)6-3-7-16(18)19(22)20-10-8-13-4-1-2-5-14(13)12-20/h1-7H,8-12H2

InChI Key

PYHWDUVVWMHZGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.47

Polar Surface Area

29.717

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G777-0219 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G777-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G777-0219?
Check Price and Availability of G777-0219, 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 G777-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G777-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G777-0219
  • 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 G777-0219 available by request