G856-0653 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

G856-0653 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
G856-0653 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0653
4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-5-(2-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

G856-0653

Molecular Formula

C28H21ClFN3O4 (C28 H21 ClFN3 O4)

Compound Name

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

SMILES

OC(CCC(N(C(C1)c(cccc2)c2F)N=C1C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O)=O

InChI

InChI=1S/C28H21ClFN3O4/c29-17-10-11-21-19(14-17)26(16-6-2-1-3-7-16)27(28(37)31-21)22-15-23(18-8-4-5-9-20(18)30)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

HXHWECBQNAZAGH-HSZRJFAPSA-N

MDL Number (MFCD)

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

4.883

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-4.74

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

14.29

G856-0653 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 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 G856-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0653?
Check Price and Availability of G856-0653, 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 G856-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0653
  • 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 G856-0653 available by request