G777-0185 Screening compound: N~8~-(2,5-dimethoxybenzyl)-4-oxo-8-thiochromanecarboxamide

G777-0185 Screening compound: N~8~-(2,5-dimethoxybenzyl)-4-oxo-8-thiochromanecarboxamide
G777-0185 Screening compound: N~8~-(2,5-dimethoxybenzyl)-4-oxo-8-thiochromanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G777-0185
N~8~-(2,5-dimethoxybenzyl)-4-oxo-8-thiochromanecarboxamide

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

G777-0185

Molecular Formula

C19H19NO4S (C19 H19 NO4 S)

Compound Name

N~8~-(2,5-dimethoxybenzyl)-4-oxo-8-thiochromanecarboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-4-oxo-34-dihydro-2H-1-benzothiopyran-8-carboxamide

SMILES

COc(cc1)cc(CNC(c2cccc3c2SCCC3=O)=O)c1OC

InChI

InChI=1S/C19H19NO4S/c1-23-13-6-7-17(24-2)12(10-13)11-20-19(22)15-5-3-4-14-16(21)8-9-25-18(14)15/h3-7,10H,8-9,11H2,1-2H3,(H,20,22)

InChI Key

PMHXBRPIFPQIMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.66

Polar Surface Area

52.994

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

G777-0185 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G777-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G777-0185?
Check Price and Availability of G777-0185, 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 G777-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G777-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G777-0185
  • 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 G777-0185 available by request