5959-0169 Screening compound: 5-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

5959-0169 Screening compound: 5-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
5959-0169 Screening compound: 5-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5959-0169
5-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

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

5959-0169

Molecular Formula

C25H24ClN3O4 (C25 H24 ClN3 O4)

Compound Name

5-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

IUPAC name

5-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-45-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

SMILES

CCOc(cc1cc2C(C3)N(C(CCCC(O)=O)=O)N=C3c3ccccc3)ccc1nc2Cl

InChI

InChI=1S/C25H24ClN3O4/c1-2-33-18-11-12-20-17(13-18)14-19(25(26)27-20)22-15-21(16-7-4-3-5-8-16)28-29(22)23(30)9-6-10-24(31)32/h3-5,7-8,11-14,22H,2,6,9-10,15H2,1H3,(H,31,32)/t22-/m0/s1

InChI Key

ZSEXKSGQCALTKW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03666932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-4.42

Polar Surface Area

71.334

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

5959-0169 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5959-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5959-0169?
Check Price and Availability of 5959-0169, 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 5959-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5959-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5959-0169
  • 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 5959-0169 available by request