C768-0895 Screening compound: 6-chloro-3-(4-ethoxybenzoyl)-4-(pyrrolidin-1-yl)quinoline

C768-0895 Screening compound: 6-chloro-3-(4-ethoxybenzoyl)-4-(pyrrolidin-1-yl)quinoline
C768-0895 Screening compound: 6-chloro-3-(4-ethoxybenzoyl)-4-(pyrrolidin-1-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-0895
6-chloro-3-(4-ethoxybenzoyl)-4-(pyrrolidin-1-yl)quinoline

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

C768-0895

Molecular Formula

C22H21ClN2O2 (C22 H21 ClN2 O2)

Compound Name

6-chloro-3-(4-ethoxybenzoyl)-4-(pyrrolidin-1-yl)quinoline

IUPAC name

6-chloro-3-(4-ethoxybenzoyl)-4-(pyrrolidin-1-yl)quinoline

SMILES

CCOc(cc1)ccc1C(c1cnc(ccc(Cl)c2)c2c1N1CCCC1)=O

InChI

InChI=1S/C22H21ClN2O2/c1-2-27-17-8-5-15(6-9-17)22(26)19-14-24-20-10-7-16(23)13-18(20)21(19)25-11-3-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3

InChI Key

BGYUIUMUFOGUIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.90

Polar Surface Area

32.898

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C768-0895 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C768-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-0895?
Check Price and Availability of C768-0895, 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 C768-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-0895
  • 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 C768-0895 available by request