G777-0068 Screening compound: 8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1-benzothiopyran-4-one

G777-0068 Screening compound: 8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1-benzothiopyran-4-one
G777-0068 Screening compound: 8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1-benzothiopyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G777-0068
8-[4-(pyridin-2-yl)piperazine-1-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

G777-0068

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1-benzothiopyran-4-one

IUPAC name

8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-34-dihydro-2H-1-benzothiopyran-4-one

SMILES

O=C(c1cccc2c1SCCC2=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C19H19N3O2S/c23-16-7-13-25-18-14(16)4-3-5-15(18)19(24)22-11-9-21(10-12-22)17-6-1-2-8-20-17/h1-6,8H,7,9-13H2

InChI Key

PSCFXAQKHMTXCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-2.89

Polar Surface Area

41.827

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G777-0068 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G777-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G777-0068?
Check Price and Availability of G777-0068, 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 G777-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G777-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G777-0068
  • 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 G777-0068 available by request