C768-1340 Screening compound: 3-(4-ethylbenzoyl)-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline

C768-1340 Screening compound: 3-(4-ethylbenzoyl)-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
C768-1340 Screening compound: 3-(4-ethylbenzoyl)-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-1340
3-(4-ethylbenzoyl)-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline

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

C768-1340

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

3-(4-ethylbenzoyl)-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline

IUPAC name

3-(4-ethylbenzoyl)-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline

SMILES

CCc(cc1)ccc1C(c(cnc(c1c2)ccc2OC)c1N1CCN(CC)CC1)=O

InChI

InChI=1S/C25H29N3O2/c1-4-18-6-8-19(9-7-18)25(29)22-17-26-23-11-10-20(30-3)16-21(23)24(22)28-14-12-27(5-2)13-15-28/h6-11,16-17H,4-5,12-15H2,1-3H3

InChI Key

MTFUOYZHOWFULN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.53

Polar Surface Area

36.489

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C768-1340 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C768-1340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-1340?
Check Price and Availability of C768-1340, 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 C768-1340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-1340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-1340
  • 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 C768-1340 available by request