3740-0578 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3740-0578 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3740-0578 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3740-0578
4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-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

3740-0578

Molecular Formula

C28H21BrN4O6 (C28 H21 BrN4 O6)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(C(C2)N(C(CCC(O)=O)=O)N=C2C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)cc1)=O

InChI

InChI=1S/C28H21BrN4O6/c29-18-8-11-21-20(14-18)26(17-4-2-1-3-5-17)27(28(37)30-21)22-15-23(16-6-9-19(10-7-16)33(38)39)32(31-22)24(34)12-13-25(35)36/h1-11,14,23H,12-13,15H2,(H,30,37)(H,35,36)/t23-/m1/s1

InChI Key

PGMWDMLBQGYSIS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01051671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.4

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

4.839

Distribution Coefficient, logD

1.890

Water Solubility, LogSw

-4.63

Polar Surface Area

113.230

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3740-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3740-0578?
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What is the minimum amount of 3740-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3740-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3740-0578
  • 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 3740-0578 available by request