G777-0087 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

G777-0087 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
G777-0087 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G777-0087
N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

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

G777-0087

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-4-oxo-34-dihydro-2H-1-benzothiopyran-8-carboxamide

SMILES

CN(CCCNC(c1cccc2c1SCCC2=O)=O)Cc1ccccc1

InChI

InChI=1S/C21H24N2O2S/c1-23(15-16-7-3-2-4-8-16)13-6-12-22-21(25)18-10-5-9-17-19(24)11-14-26-20(17)18/h2-5,7-10H,6,11-15H2,1H3,(H,22,25)

InChI Key

JIFIQEPCVVKFSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

1.445

Water Solubility, LogSw

-3.71

Polar Surface Area

41.756

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G777-0087 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G777-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G777-0087?
Check Price and Availability of G777-0087, 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 G777-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G777-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G777-0087
  • 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 G777-0087 available by request