G747-0048 Screening compound: 1-benzyl-4-hydroxy-6-methyl-3-[(4-methylphenyl)[4-(pyridin-2-yl)piperazin-1-yl]methyl]-1,2-dihydropyridin-2-one

G747-0048 Screening compound: 1-benzyl-4-hydroxy-6-methyl-3-[(4-methylphenyl)[4-(pyridin-2-yl)piperazin-1-yl]methyl]-1,2-dihydropyridin-2-one
G747-0048 Screening compound: 1-benzyl-4-hydroxy-6-methyl-3-[(4-methylphenyl)[4-(pyridin-2-yl)piperazin-1-yl]methyl]-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G747-0048
1-benzyl-4-hydroxy-6-methyl-3-[(4-methylphenyl)[4-(pyridin-2-yl)piperazin-1-yl]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

G747-0048

Molecular Formula

C30H32N4O2 (C30 H32 N4 O2)

Compound Name

1-benzyl-4-hydroxy-6-methyl-3-[(4-methylphenyl)[4-(pyridin-2-yl)piperazin-1-yl]methyl]-1,2-dihydropyridin-2-one

IUPAC name

1-benzyl-4-hydroxy-6-methyl-3-[(4-methylphenyl)[4-(pyridin-2-yl)piperazin-1-yl]methyl]-12-dihydropyridin-2-one

SMILES

Cc1ccc(C(C(C(N(Cc2ccccc2)C(C)=C2)=O)=C2O)N(CC2)CCN2c2ncccc2)cc1

InChI

InChI=1S/C30H32N4O2/c1-22-11-13-25(14-12-22)29(33-18-16-32(17-19-33)27-10-6-7-15-31-27)28-26(35)20-23(2)34(30(28)36)21-24-8-4-3-5-9-24/h3-15,20,29,35H,16-19,21H2,1-2H3/t29-/m0/s1

InChI Key

SYUBXJXJHWHKJD-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD09237441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-5.13

Polar Surface Area

45.130

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

G747-0048 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G747-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G747-0048?
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What is the minimum amount of G747-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G747-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G747-0048
  • 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 G747-0048 available by request