5267-1731 Screening compound: 1-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

5267-1731 Screening compound: 1-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
5267-1731 Screening compound: 1-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5267-1731
1-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-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

5267-1731

Molecular Formula

C23H22ClN3O2 (C23 H22 ClN3 O2)

Compound Name

1-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

1-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

CCOc1ccc(cc(C(C2)N(C(C)=O)N=C2c2ccc(C)cc2)c(Cl)n2)c2c1

InChI

InChI=1S/C23H22ClN3O2/c1-4-29-18-10-9-17-11-19(23(24)25-20(17)12-18)22-13-21(26-27(22)15(3)28)16-7-5-14(2)6-8-16/h5-12,22H,4,13H2,1-3H3/t22-/m0/s1

InChI Key

PJUCDLPDUGTYOY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02943810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-6.01

Polar Surface Area

43.946

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

5267-1731 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5267-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5267-1731?
Check Price and Availability of 5267-1731, 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 5267-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5267-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5267-1731
  • 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 5267-1731 available by request