4909-0163 Screening compound: 2-chloro-7-ethoxy-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline

4909-0163 Screening compound: 2-chloro-7-ethoxy-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
4909-0163 Screening compound: 2-chloro-7-ethoxy-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0163
2-chloro-7-ethoxy-3-[1-methanesulfonyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-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

4909-0163

Molecular Formula

C22H22ClN3O3S (C22 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(cc(C(CC(c2ccc(C)cc2)=N2)N2S(C)(=O)=O)c(Cl)n2)c2c1

InChI

InChI=1S/C22H22ClN3O3S/c1-4-29-17-10-9-16-11-18(22(23)24-19(16)12-17)21-13-20(25-26(21)30(3,27)28)15-7-5-14(2)6-8-15/h5-12,21H,4,13H2,1-3H3/t21-/m0/s1

InChI Key

ZVCIQGRKYAUFKK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03303267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.128

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-5.72

Polar Surface Area

58.207

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4909-0163 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4909-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0163?
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What is the minimum amount of 4909-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0163
  • 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 4909-0163 available by request