G747-0049 Screening compound: 1-benzyl-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1,2-dihydropyridin-2-one

G747-0049 Screening compound: 1-benzyl-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1,2-dihydropyridin-2-one
G747-0049 Screening compound: 1-benzyl-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G747-0049
1-benzyl-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1,2-dihydropyridin-2-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

G747-0049

Molecular Formula

C26H31N3O2S (C26 H31 N3 O2 S)

Compound Name

1-benzyl-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1,2-dihydropyridin-2-one

IUPAC name

1-benzyl-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-12-dihydropyridin-2-one

SMILES

CC(N1Cc2ccccc2)=CC(O)=C(C(c(cc2)ccc2SC)N2CCN(C)CC2)C1=O

InChI

InChI=1S/C26H31N3O2S/c1-19-17-23(30)24(26(31)29(19)18-20-7-5-4-6-8-20)25(28-15-13-27(2)14-16-28)21-9-11-22(32-3)12-10-21/h4-12,17,25,30H,13-16,18H2,1-3H3/t25-/m0/s1

InChI Key

QJVQNXJBPUUKAH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD09237442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.07

Polar Surface Area

36.834

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

G747-0049 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G747-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G747-0049?
Check Price and Availability of G747-0049, 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 G747-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G747-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G747-0049
  • 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 G747-0049 available by request