5959-0165 Screening compound: 4-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

5959-0165 Screening compound: 4-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
5959-0165 Screening compound: 4-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5959-0165
4-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic 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

5959-0165

Molecular Formula

C25H24ClN3O4 (C25 H24 ClN3 O4)

Compound Name

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

IUPAC name

4-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

CCOc(cc1cc2C(C3)N(C(CCC(O)=O)=O)N=C3c3ccc(C)cc3)ccc1nc2Cl

InChI

InChI=1S/C25H24ClN3O4/c1-3-33-18-8-9-20-17(12-18)13-19(25(26)27-20)22-14-21(16-6-4-15(2)5-7-16)28-29(22)23(30)10-11-24(31)32/h4-9,12-13,22H,3,10-11,14H2,1-2H3,(H,31,32)/t22-/m0/s1

InChI Key

MJDPNQCBCPLHFV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03668553

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-4.56

Polar Surface Area

71.334

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

5959-0165 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5959-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5959-0165?
Check Price and Availability of 5959-0165, 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 5959-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5959-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5959-0165
  • 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 5959-0165 available by request