4909-0162 Screening compound: 2-chloro-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methoxyquinoline

4909-0162 Screening compound: 2-chloro-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methoxyquinoline
4909-0162 Screening compound: 2-chloro-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0162
2-chloro-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-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

4909-0162

Molecular Formula

C21H20ClN3O3S (C21 H20 ClN3 O3 S)

Compound Name

2-chloro-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methoxyquinoline

IUPAC name

2-chloro-3-[1-methanesulfonyl-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-5-yl]-7-methoxyquinoline

SMILES

Cc(cc1)ccc1C(CC1c(c(Cl)nc2c3)cc2ccc3OC)=NN1S(C)(=O)=O

InChI

InChI=1S/C21H20ClN3O3S/c1-13-4-6-14(7-5-13)19-12-20(25(24-19)29(3,26)27)17-10-15-8-9-16(28-2)11-18(15)23-21(17)22/h4-11,20H,12H2,1-3H3/t20-/m0/s1

InChI Key

PAHFAUHGEDZETF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03288376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.94

Polar Surface Area

58.628

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

4909-0162 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4909-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0162?
Check Price and Availability of 4909-0162, 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 4909-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0162
  • 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 4909-0162 available by request