3844-1117 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3844-1117 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3844-1117 Screening compound: 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3844-1117
4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-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

3844-1117

Molecular Formula

C28H21ClN4O6 (C28 H21 ClN4 O6)

Compound Name

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

SMILES

[O-][N+](c1cccc(C(C2)N(C(CCC(O)=O)=O)N=C2C2=C(c3ccccc3)c(cc(cc3)Cl)c3NC2=O)c1)=O

InChI

InChI=1S/C28H21ClN4O6/c29-18-9-10-21-20(14-18)26(16-5-2-1-3-6-16)27(28(37)30-21)22-15-23(17-7-4-8-19(13-17)33(38)39)32(31-22)24(34)11-12-25(35)36/h1-10,13-14,23H,11-12,15H2,(H,30,37)(H,35,36)/t23-/m1/s1

InChI Key

XCZSPVCHMPKNSY-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02046160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.95

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-4.65

Polar Surface Area

113.230

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3844-1117 in Drug Discovery

Included in Screening Libraries

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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3844-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3844-1117?
Check Price and Availability of 3844-1117, 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 3844-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3844-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3844-1117
  • 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 3844-1117 available by request