3844-1118 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3844-1118 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3844-1118 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3844-1118
4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-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

3844-1118

Molecular Formula

C28H21ClFN3O4 (C28 H21 ClFN3 O4)

Compound Name

4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[3-(6-chloro-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

OC(CCC(N(C(C1)c(cc2)ccc2F)N=C1C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O)=O

InChI

InChI=1S/C28H21ClFN3O4/c29-18-8-11-21-20(14-18)26(17-4-2-1-3-5-17)27(28(37)31-21)22-15-23(16-6-9-19(30)10-7-16)33(32-22)24(34)12-13-25(35)36/h1-11,14,23H,12-13,15H2,(H,31,37)(H,35,36)/t23-/m1/s1

InChI Key

WLUZUGLVCOSTIO-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02987923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.746

Distribution Coefficient, logD

1.796

Water Solubility, LogSw

-4.75

Polar Surface Area

79.849

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3844-1118 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3844-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3844-1118?
Check Price and Availability of 3844-1118, 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 3844-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3844-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3844-1118
  • 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 3844-1118 available by request