5959-0166 Screening compound: 2-chloro-6-ethoxy-3-[3-(4-methylphenyl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline

5959-0166 Screening compound: 2-chloro-6-ethoxy-3-[3-(4-methylphenyl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
5959-0166 Screening compound: 2-chloro-6-ethoxy-3-[3-(4-methylphenyl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5959-0166
2-chloro-6-ethoxy-3-[3-(4-methylphenyl)-1-(thiophene-2-carbonyl)-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

5959-0166

Molecular Formula

C26H22ClN3O2S (C26 H22 ClN3 O2 S)

Compound Name

2-chloro-6-ethoxy-3-[3-(4-methylphenyl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline

IUPAC name

2-chloro-6-ethoxy-3-[3-(4-methylphenyl)-1-(thiophene-2-carbonyl)-45-dihydro-1H-pyrazol-5-yl]quinoline

SMILES

CCOc(cc1cc2C(C3)N(C(c4cccs4)=O)N=C3c3ccc(C)cc3)ccc1nc2Cl

InChI

InChI=1S/C26H22ClN3O2S/c1-3-32-19-10-11-21-18(13-19)14-20(25(27)28-21)23-15-22(17-8-6-16(2)7-9-17)29-30(23)26(31)24-5-4-12-33-24/h4-14,23H,3,15H2,1-2H3/t23-/m0/s1

InChI Key

PVDKLDNAWCRFES-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03666538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.877

Distribution Coefficient, logD

6.877

Water Solubility, LogSw

-6.27

Polar Surface Area

44.225

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

5959-0166 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5959-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5959-0166?
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What is the minimum amount of 5959-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5959-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5959-0166
  • 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 5959-0166 available by request