2800-0024 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

2800-0024 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
2800-0024 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2800-0024
4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-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

2800-0024

Molecular Formula

C28H21BrFN3O4 (C28 H21 BrFN3 O4)

Compound Name

4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-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-(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)Br)c2NC1=O)=O)=O

InChI

InChI=1S/C28H21BrFN3O4/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

GLUNQWNYTPGDDP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02083653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.39

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

5.080

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-4.95

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

2800-0024 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2800-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2800-0024?
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What is the minimum amount of 2800-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2800-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2800-0024
  • 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 2800-0024 available by request