G753-0454 Screening compound: 5,7-dimethyl-2-{[4-(3-methylbenzoyl)piperazin-1-yl]methyl}-1,4-dihydroquinolin-4-one

G753-0454 Screening compound: 5,7-dimethyl-2-{[4-(3-methylbenzoyl)piperazin-1-yl]methyl}-1,4-dihydroquinolin-4-one
G753-0454 Screening compound: 5,7-dimethyl-2-{[4-(3-methylbenzoyl)piperazin-1-yl]methyl}-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G753-0454
5,7-dimethyl-2-{[4-(3-methylbenzoyl)piperazin-1-yl]methyl}-1,4-dihydroquinolin-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

G753-0454

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

5,7-dimethyl-2-{[4-(3-methylbenzoyl)piperazin-1-yl]methyl}-1,4-dihydroquinolin-4-one

IUPAC name

57-dimethyl-2-{[4-(3-methylbenzoyl)piperazin-1-yl]methyl}-14-dihydroquinolin-4-one

SMILES

Cc1cccc(C(N2CCN(CC(Nc3c4c(C)cc(C)c3)=CC4=O)CC2)=O)c1

InChI

InChI=1S/C24H27N3O2/c1-16-5-4-6-19(12-16)24(29)27-9-7-26(8-10-27)15-20-14-22(28)23-18(3)11-17(2)13-21(23)25-20/h4-6,11-14H,7-10,15H2,1-3H3,(H,25,28)

InChI Key

NDDJRWGLBUZEGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15032083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.67

Polar Surface Area

45.222

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G753-0454 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G753-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G753-0454?
Check Price and Availability of G753-0454, 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 G753-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G753-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G753-0454
  • 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 G753-0454 available by request